SCHEMBL6516541

SCHEMBL6516541

O=[N+]([O-])c1cc(S(=O)(=O)[O-])ccc1S.[Na+]

nearest known ligand 0.44

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 4/20 0.43
CA1 known ✓ P00915 4/20 0.43
CA2 known ✓ P00918 4/20 0.43
VCAM1 P19320 6/20 0.44
CA9 Q16790 4/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.38
GAA P10253 2/20 0.38
NSD2 O96028 1/20 0.38
PLCG1 P19174 1/20 0.38
DNMT1 P26358 1/20 0.38
CASP6 P55212 1/20 0.38

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
Zinc Ion SCHEMBL6516607 0.96 VCAM1 (0.44) VCAM1CA12CA1CA2CA9
SCHEMBL6516545 0.84 ALDH1A1 (0.55) VCAM1CA12CA1CA2CA9
SCHEMBL6512414 0.84 VCAM1 (0.45) VCAM1CA12CA1CA2CA9
SCHEMBL28387409 0.81 ALDH1A1 (0.49) VCAM1CA12CA1CA2CA9
SCHEMBL6512416 0.81 VCAM1 (0.46) VCAM1CA12CA1CA2CA9
SCHEMBL6516552 0.81 ALDH1A1 (0.57) VCAM1CA12CA1CA2CA9
SCHEMBL6520572 0.81 VCAM1 (0.46) VCAM1CA12CA1CA2CA9
SCHEMBL6515638 0.81 ALDH1A1 (0.57) VCAM1CA12CA1CA2CA9
SCHEMBL11201358 0.81 VCAM1 (0.47) VCAM1CA12CA1CA2CA9
SCHEMBL6512411 0.80 VCAM1 (0.45) VCAM1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2656882-B1 Golf ball SUMITOMO RUBBER IND (JP) 2021-06-09 EP disclosed
EP-3292893-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2021-06-09 EP disclosed
EP-3156441-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2020-11-25 EP disclosed
EP-3329971-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2020-11-18 EP disclosed
EP-2666521-B1 Golf ball SUMITOMO RUBBER IND (JP) 2020-09-02 EP disclosed
EP-2669326-B1 Golf ball SUMITOMO RUBBER IND (JP) 2019-06-12 EP disclosed
US-10286258-B2 Golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-05-14 US disclosed
US-10272296-B2 Golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-04-30 US disclosed
US-10265585-B2 Golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-04-23 US disclosed
EP-3329971-A1 GOLF BALL Dunlop Sports Co., Ltd. (JP) 2018-06-06 EP disclosed
US-20130005508-A1 GOLF BALL DUNLOP SPORTS CO. LTD. (JP) 2013-01-03 US disclosed
US-20130005506-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-01-03 US disclosed
US-20130005507-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-01-03 US disclosed
US-20130005505-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-01-03 US disclosed
US-20120172150-A1 GOLF BALL SRI SPORTS LIMITED (JP) 2012-07-05 US disclosed
US-20120172149-A1 GOLF BALL SRI SPORTS LIMITED (JP) 2012-07-05 US disclosed
US-20120142453-A1 GOLF BALL SRI SPORTS LIMITED (JP) 2012-06-07 US disclosed
US-6919393-B2 Solid golf ball SRI SPORTS LIMITED (JP) 2005-07-19 US disclosed
US-20030144425-A1 Solid golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2003-07-31 US disclosed
US-20030144427-A1 Solid golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2003-07-31 US disclosed