SCHEMBL7567975

SCHEMBL7567975

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc3c(c2)OCO3)cc(C(=O)O)cc1OCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.55
EDNRB P24530 2/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
USP2 O75604 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.42
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
NR1I2 O75469 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
SCHEMBL7567961 0.93 EDNRA (0.55) EDNRAEDNRBTSHRALDH1A1MAPT
SCHEMBL7569569 0.91 EDNRA (0.52) EDNRAEDNRBTSHRALDH1A1MAPT
SCHEMBL7567923 0.91 EDNRA (0.52) EDNRAEDNRBTSHRALDH1A1MAPT
SCHEMBL7567596 0.89 EDNRA (0.50) EDNRAEDNRBTSHRALDH1A1MAPT
SCHEMBL7570509 0.88 EDNRA (0.49) EDNRAEDNRBALDH1A1MAPK1SMN1; SMN2
SCHEMBL7569190 0.87 EDNRB (0.47) EDNRAEDNRBTSHRALDH1A1MAPT
SCHEMBL7570858 0.86 EDNRA (0.48) EDNRAEDNRBALDH1A1
SCHEMBL7568992 0.85 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7566642 0.85 EDNRA (0.62) EDNRAEDNRBALDH1A1MAPTKDM4E
SCHEMBL7568220 0.85 EDNRA (0.62) EDNRAEDNRBABCC3ABCC4NR1I2

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
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed
US-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 US claimed
JP-2930731-B2 1999-08-03 JP claimed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP claimed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO claimed
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
US-6133442-A FOR THE TREATMENT OF DISORDERS WHICH ARE ASSOCIATED WITH ENDOTHELIN ACTIVITIES, ESPECIALLY CIRCULATORY DISORDERS SUCH AS HYPERTENSION, ISCHAEMIA, VASOSPASMS AND ANGINA PECTORIS HOFFMANN-LA ROCHE INC. (US) 2000-10-17 US disclosed
US-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 US disclosed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed