SCHEMBL229142

SCHEMBL229142

O=S(=O)([O-])CCN1CCN(CCO)CC1.[Na+]

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.38
CA1 known ✓ P00915 1/20 0.38
CA2 known ✓ P00918 1/20 0.38
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CA9 Q16790 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
KMT2A Q03164 4/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAPT P10636 3/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3904265 1.00 ALDH1A1 (0.42) ALDH1A1KDM4ECA12CA1CA2
Hydrochloric Acid SCHEMBL934319 0.98 ALDH1A1 (0.41) ALDH1A1KDM4ECA12CA1CA2
Water SCHEMBL1121994 0.98 ALDH1A1 (0.41) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL3717130 0.96 ALDH1A1 (0.42) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL29552462 0.96 ALDH1A1 (0.42) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL3365753 0.96 ALDH1A1 (0.42) ALDH1A1KDM4ECA12CA1CA2
Potassium Ion SCHEMBL366682 0.96 ALDH1A1 (0.42) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL14894927 0.96 ALDH1A1 (0.42) ALDH1A1KDM4ECA12CA1CA2
Hydrochloric Acid SCHEMBL23532725 0.94 ALDH1A1 (0.41) ALDH1A1KDM4ECA12CA1CA2
Water SCHEMBL4269781 0.94 ALDH1A1 (0.41) ALDH1A1KDM4ECA12CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1999 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115814607-B Filtering component, test paper containing filtering component, preparation method and application 可孚医疗科技股份有限公司 2025-05-30 CN claimed
CN-116814627-B SgRNA composition, kit for detecting novel coronavirus SARS-CoV-2 and detection method 深圳市辰景生命科技有限公司 2024-07-19 CN claimed
CN-117987407-A Method for visually screening enzyme mutant with high flux 淮阴工学院 2024-05-07 CN claimed
CN-117721172-A Application of auxiliary materials and/or nano enzyme in automatic on-line monitoring instrument feeding 吉林市光大分析技术有限责任公司 2024-03-19 CN claimed
CN-113861254-B Tumor PET imaging agent 68 Ga-NOTAN-aDG, and preparation method and application thereof 复旦大学附属中山医院 2023-10-27 CN claimed
EP-4263690-A1 LONG-TERM FIRE RETARDANT WITH CORROSION INHIBITORS AND METHODS FOR MAKING AND USING SAME FRS Group, LLC (US) 2023-10-25 EP claimed
CN-116814627-A sgRNA composition, kit for detecting novel coronavirus SARS-CoV-2 and detection method 深圳市辰景生命科技有限公司 2023-09-29 CN claimed
CN-112831599-B CoVID-19 virus detection kit based on signal amplification technology 郑州科蒂亚生物技术有限公司 2023-05-23 CN claimed
CN-109943665-B Probe sequence for detecting head and neck squamous carcinoma oncogene, kit and application thereof 郑州科蒂亚生物技术有限公司 2023-05-16 CN claimed
CN-115814607-A Filter member, test paper containing filter member, preparation method and application 可孚医疗科技股份有限公司 2023-03-21 CN claimed
US-20090157344-A1 CONTROL AND CALIBRATION SOLUTIONS AND METHODS FOR THEIR USE ROCHE DIABETES CARE, INC. 2009-06-18 US claimed
WO-2008109816-A1 METHOD FOR ISOLATION OF AFTERBIRTH DERIVED CELLS HEMACELL PERFUSION, INC. (US) 2008-09-12 WO claimed
EP-1403378-B1 Medium for detecting target microbes in a sample IDEXX LAB INC (US) 2008-02-27 EP claimed
US-20070190649-A1 Pulsatile perfusion extraction method for non-embryonic pluripotent stem cells HEMACELL PERFUSION (US) 2007-08-16 US claimed
EP-1786563-A1 METHOD AND APPARATUS FOR OPTIMIZING CRYSTALLIZATION CONDITIONS OF A SUBSTRATE Nextal Biotechnologie Inc. (CA) 2007-05-23 EP claimed
WO-2006007702-A1 METHOD AND APPARATUS FOR OPTIMIZING CRYSTALLIZATION CONDITIONS OF A SUBSTRATE NEXTAL BIOTECHNOLOGIE INC. (CA) 2006-01-26 WO claimed
EP-1403378-A2 Medium for detecting target microbes in a sample IDEXX LABORATORIES, INC. (US) 2004-03-31 EP claimed
EP-0789779-A2 MEDIUM FOR DETECTING TARGET MICROBES IN A SAMPLE IDEXX LABORATORIES, INC. (US) 1997-08-20 EP claimed
US-5610029-A BACTERIA CULTURE, NUTRIENT INDICATOR IDEXX LABORATORIES, INC. (US) 1997-03-11 US claimed
WO-1996014432-A2 MEDIUM FOR DETECTING TARGET MICROBES IN A SAMPLE IDEXX LABORATORIES, INC. (US) 1996-05-17 WO claimed