SCHEMBL9313738

SCHEMBL9313738

CCc1cc(N)ccc1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.43

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 16)

geneUniProtsupporting neighboursconfidence
P2RY4 known ✓ P51582 4/20 0.41
P2RY2 known ✓ P41231 3/20 0.41
P2RY12 known ✓ Q9H244 2/20 0.39
CA12 known ✓ O43570 1/20 0.36
CA1 known ✓ P00915 1/20 0.36
CA2 known ✓ P00918 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.41
PRKCI P41743 1/20 0.37
RAD51 Q06609 1/20 0.37
FTO Q9C0B1 1/20 0.36
CA9 Q16790 1/20 0.36
ACHE P22303 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
MET P08581 1/20 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
SCHEMBL9329784 0.82 L3MBTL1 (0.47) L3MBTL1GAAPRKCICA12CA1
SCHEMBL9644228 0.81 L3MBTL1 (0.46) L3MBTL1GAAPRKCICA12CA1
SCHEMBL8492152 0.79 L3MBTL1 (0.44) L3MBTL1GAAPRKCICA12CA1
SCHEMBL155726 0.79 RAPGEF4 (0.45) L3MBTL1GAAPRKCIACHEPOLB
SCHEMBL7098523 0.78 L3MBTL1 (0.45) L3MBTL1GAAP2RY12FTOCA12
SCHEMBL9313745 0.78 RAPGEF4 (0.44) L3MBTL1GAAPRKCIACHEPOLB
SCHEMBL14989104 0.77 L3MBTL1 (0.66) L3MBTL1P2RY4P2RY2P2RY12POLB
SCHEMBL4639283 0.76 ALDH1A1 (0.42) L3MBTL1GAAPRKCIACHEPOLB
SCHEMBL3396550 0.76 L3MBTL1 (0.44) L3MBTL1P2RY12FTOCA12CA1
SCHEMBL29386214 0.76 L3MBTL1 (0.44) L3MBTL1P2RY12FTOCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338319-A Process for the photochemical and thermal stabilization of polyamide fibre material with a copper complex having fibre-affinity and an oxalic acid diarylamide CIBA-GEIGY CORPORATION (US) 1994-08-16 US disclosed
US-5241109-A Photochemical and thermal stabilizers for use in dyeing polyamide fibers CIBA-GEIGY CORPORATION (US) 1993-08-31 US disclosed