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SCHEMBL7583371

SCHEMBL7583371

COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(N)=O)cc3)nc(OCCO)c2Oc2cccc(OC)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 11/20 0.58
▸ EDNRB P24530 7/20 0.58
▸ DHPS P49366 2/20 0.52
▸ ABCC3 O15438 1/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ NR1H3 Q13133 1/20 0.52
▸ NR1I3 Q14994 1/20 0.52

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
SCHEMBL7585791 0.93 EDNRA (0.69) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7946062 0.88 EDNRA (0.61) EDNRAEDNRBDHPSABCC3ABCC4
Benzamide SCHEMBL7583369 0.85 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7596382 0.84 EDNRA (0.65) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7589737 0.84 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7591783 0.83 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7592200 0.83 EDNRA (0.67) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7946111 0.81 EDNRA (0.73) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7582230 0.81 EDNRA (0.86) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7297093 0.80 EDNRA (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768304-B1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments HOFFMANN LA ROCHE (CH) 2002-05-22 — — EP claimed