SCHEMBL22721204

SCHEMBL22721204

O=S(=O)([O-])c1ccc(CCCCn2nnc3ccccc32)cc1.[Na+]

nearest known ligand 0.55

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 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SLC9A1 P19634 8/20 0.53
▸ GLA P06280 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ EGLN3 Q9H6Z9 2/20 0.46
▸ PLA2G4A P47712 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GRM2 Q14416 2/20 0.43
▸ P2RX7 Q99572 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ASAH1 Q13510 1/20 0.41

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
SCHEMBL3651402 0.80 MAPT (0.61) MAPTNPC1RAB9ASLC9A1GLA
SCHEMBL1764460 0.79 MAPT (0.60) MAPTNPC1RAB9ASLC9A1GLA
SCHEMBL4346795 0.74 SLC9A1 (0.63) MAPTNPC1RAB9ASLC9A1GLA
SCHEMBL14796568 0.74 SLC9A1 (0.79) MAPTNPC1RAB9ASLC9A1GLA
SCHEMBL7672503 0.73 SLC9A1 (0.71) MAPTNPC1RAB9ASLC9A1GLA
Sulfuric Acid SCHEMBL31557704 0.72 SLC9A1 (0.83) MAPTNPC1RAB9ASLC9A1EGLN3
SCHEMBL7667065 0.72 SLC9A1 (0.70) MAPTNPC1RAB9ASLC9A1GLA
SCHEMBL3428426 0.72 NPC1 (1.00) MAPTNPC1RAB9ASLC9A1GLA
SCHEMBL17103011 0.70 SLC9A1 (0.90) MAPTNPC1RAB9ASLC9A1GLA
SCHEMBL6850915 0.70 SLC9A1 (0.71) MAPTNPC1RAB9ASLC9A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114867533-A Cosmetic composition and use thereof 美斯蒂克制药集团有限公司 2022-08-05 — — CN claimed
EP-3808411-A1 COSMETIC COMPOSITIONS AND USE THEREOF Mesoestetic Pharma Group, S.L. (ES) 2021-04-21 — — EP claimed
WO-2020240056-A1 COSMETIC COMPOSITIONS AND USE THEREOF MESOESTETIC PHARMA GROUP, S.L (ES) 2020-12-03 — — WO claimed
CN-114867533-A Cosmetic composition and use thereof 美斯蒂克制药集团有限公司 2022-08-05 — — CN disclosed
EP-3808411-A1 COSMETIC COMPOSITIONS AND USE THEREOF Mesoestetic Pharma Group, S.L. (ES) 2021-04-21 — — EP disclosed
WO-2020240056-A1 COSMETIC COMPOSITIONS AND USE THEREOF MESOESTETIC PHARMA GROUP, S.L (ES) 2020-12-03 — — WO disclosed
Send feedback