SCHEMBL8317647

SCHEMBL8317647

CCc1cc2nonc2c(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 8/20 0.48
▸ EDNRB P24530 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ BCL2 P10415 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ NSD2 O96028 1/20 0.44

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
SCHEMBL8317669 0.90 EDNRA (0.46) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL8316684 0.86 EDNRA (0.54) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL8313971 0.83 EDNRA (0.48) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL8316284 0.75 ALDH1A1 (0.59) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL8311757 0.73 EDNRA (0.72) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL7939545 0.72 EDNRA (0.74) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL3981049 0.71 METAP2 (0.60) EDNRAKDM4ETSHRHSD17B10BCL2
SCHEMBL8313029 0.69 EDNRA (0.62) EDNRAKDM4ETSHRHSD17B10NSD2
SCHEMBL10337882 0.68 CA2 (0.51) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL8537099 0.68 EDNRA (0.59) EDNRAEDNRBKDM4ETSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733626-B1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GMBH (DE) 1999-01-13 — — EP disclosed
US-5726194-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-10 — — US disclosed
EP-0733626-A1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GmbH (DE) 1996-09-25 — — EP disclosed
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