SCHEMBL8941018

SCHEMBL8941018

CCCCCCCCCCCCSOS(=O)(=O)[O-].[Na+]

nearest known ligand 0.52

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
CA2 known ✓ P00918 9/20 0.41
CA1 known ✓ P00915 8/20 0.35
CA12 known ✓ O43570 3/20 0.35
CA4 known ✓ P22748 2/20 0.35
THRB known ✓ P10828 1/20 0.34
RECQL P46063 2/20 0.52
BLM P54132 2/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
EPHX2 P34913 1/20 0.52
FUT7 Q11130 1/20 0.40
NR1I2 O75469 1/20 0.36
CA9 Q16790 7/20 0.35
CA7 P43166 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA3 P07451 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35

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
SCHEMBL8422675 1.00 RECQL (0.52) RECQLBLMGLAHPGDTSHR
SCHEMBL8941099 0.98 RECQL (0.48) RECQLBLMGLAHPGDTSHR
SCHEMBL8941058 0.92 RECQL (0.45) RECQLBLMGLAHPGDTSHR
SCHEMBL6129983 0.83 RECQL (0.39) RECQLBLMGLAHPGDTSHR
SCHEMBL1715468 0.81 CA12 (0.43) RECQLBLMGLAHPGDTSHR
SCHEMBL11831443 0.81 CA2 (0.45) RECQLBLMGLAHPGDTSHR
SCHEMBL28355021 0.81 CA2 (0.45) RECQLBLMGLAHPGDTSHR
SCHEMBL9861007 0.80 CA2 (0.38) RECQLBLMGLAHPGDTSHR
SCHEMBL5856122 0.80 CA12 (0.42) RECQLBLMGLAHPGDTSHR
SCHEMBL11427908 0.79 CA2 (0.44) RECQLBLMGLAHPGDTSHR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113845624-B Sheet molding compound, preparation method thereof and sheet molding compound product 比亚迪股份有限公司 2022-12-09 CN claimed
CN-113499478-B Method for processing biological tissue material 成都纽脉生物科技有限公司 2022-07-12 CN claimed
CN-109762557-B Inorganic fluorescent nano particle and preparation method and application thereof 天津理工大学 2022-01-11 CN claimed
CN-113499478-A Method for processing biological tissue material 成都纽脉生物科技有限公司 2021-10-15 CN claimed
CN-113499478-B Method for processing biological tissue material 成都纽脉生物科技有限公司 2022-07-12 CN disclosed
CN-109762557-B Inorganic fluorescent nano particle and preparation method and application thereof 天津理工大学 2022-01-11 CN disclosed
CN-113845624-A Sheet molding compound, preparation method thereof and sheet molding compound product 比亚迪股份有限公司 2021-12-28 CN disclosed
CN-113499478-A Method for processing biological tissue material 成都纽脉生物科技有限公司 2021-10-15 CN disclosed
CN-109628963-B Device for preparing foam metal by electroplating method and processing technology thereof 浙江工贸职业技术学院 2020-01-07 CN disclosed
US-5580904-A PENETRATE BLOOD-BRAIN BARRIER DRUG DELIVERY SYSTEM INSTITUTE, LTD. (JP) 1996-12-03 US disclosed
EP-0614886-A1 COMPOUND CAPABLE OF INTRACEREBRAL RESIDENCE AND USE THEREOF DRUG DELIVERY SYSTEM INSTITUTE, LTD. (JP) 1994-09-14 EP disclosed