SCHEMBL7939786

SCHEMBL7939786

COc1nc(C)cnc1NS(=O)(=O)c1ccccc1-c1ccc(OC(C)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.58
CCR4 P51679 5/20 0.54
ABCB11 O95342 1/20 0.52
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45

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
SCHEMBL7951264 0.90 EDNRA (0.57) EDNRACCR4PPARGPPARA
SCHEMBL7361198 0.88 ABCB11 (0.69) EDNRACCR4ABCB11
SCHEMBL1387249 0.86 EDNRA (0.66) EDNRACCR4ABCB11
SCHEMBL1387150 0.85 EDNRA (0.77) EDNRACCR4ABCB11
SCHEMBL7946070 0.85 EDNRA (0.60) EDNRACCR4ABCB11
SCHEMBL795555 0.85 EDNRA (0.66) EDNRACCR4ABCB11
SCHEMBL1387397 0.83 EDNRA (0.67) EDNRACCR4ABCB11
SCHEMBL7949490 0.82 EDNRA (0.58) EDNRACCR4ABCB11
SCHEMBL1387336 0.81 CCR4 (0.66) EDNRACCR4ABCB11
SCHEMBL1387310 0.81 EDNRA (0.81) EDNRACCR4ABCB11

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
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
US-5668137-A N-heterocyclic sulfonamides having endothelin receptor activity ZENECA LTD. (GB) 1997-09-16 US disclosed
EP-0749964-A1 N-Heterocyclyl biphenyl sulfonamides ZENECA LIMITED (GB) 1996-12-27 EP disclosed