SCHEMBL7844463

SCHEMBL7844463

COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ccc(C(F)(F)F)nc2)nc1OCCO

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 16/20 0.58
EDNRB P24530 8/20 0.54
DHPS P49366 3/20 0.54
ABCC3 O15438 1/20 0.54
ABCC4 O15439 1/20 0.54
NR1I2 O75469 1/20 0.54
ABCB11 O95342 1/20 0.54
NR1H3 Q13133 1/20 0.54
NR1I3 Q14994 1/20 0.54

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
SCHEMBL7844466 1.00 EDNRA (0.58) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7840308 0.92 EDNRA (0.47) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7840305 0.92 EDNRA (0.47) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7840808 0.90 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7840810 0.90 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7842752 0.87 DHPS (0.42) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7842750 0.87 DHPS (0.42) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7840430 0.85 EDNRA (0.74) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL795168 0.85 EDNRA (0.74) EDNRAEDNRBDHPSABCC3ABCC4
Potassium SCHEMBL7842390 0.84 EDNRA (0.73) EDNRAEDNRBDHPSABCC3ABCC4

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-0882719-B1 ARYLETHENESULFONAMIDE DERIVATIVES AND DRUG COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMA CO LTD (JP) 2001-05-16 EP disclosed
US-6083955-A HAVING A HIGH AFFINITY FOR DRUGS, ESPECIALLY ENDOSERINE RECEPTORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0882719-A1 ARYLETHENESULFONAMIDE DERIVATIVES AND DRUG COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-12-09 EP disclosed