SCHEMBL4429112

SCHEMBL4429112

Cc1cc(NCc2ccc(-c3ccccc3S(=O)(=O)Nc3noc(C)c3C)cc2)n2nccc2n1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 0.43
EDNRB P24530 10/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNN1 Q92952 1/20 0.40
KCNN2 Q9H2S1 1/20 0.40
KCNN3 Q9UGI6 1/20 0.40

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
SCHEMBL13574911 0.92 EDNRA (0.40) EDNRAEDNRBMEN1NPC1RAB9A
SCHEMBL13574889 0.85 EDNRA (0.44) EDNRAEDNRB
SCHEMBL4424315 0.85 EDNRA (0.55) EDNRAEDNRBKCNN3
SCHEMBL13574912 0.80 EDNRA (0.41) EDNRAEDNRBKCNN3
SCHEMBL4421491 0.78 EDNRA (0.47) EDNRAEDNRBKCNN1KCNN2KCNN3
SCHEMBL7441417 0.74 MEN1 (0.49) MEN1NPC1RAB9AKMT2AKCNN1
SCHEMBL7557151 0.74 EDNRA (0.64) EDNRAEDNRB
SCHEMBL6767700 0.74 EDNRA (0.70) EDNRAEDNRB
SCHEMBL4287019 0.74 EDNRA (0.44) EDNRAEDNRB
SCHEMBL4424916 0.73 EDNRA (0.52) EDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009155448-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO claimed
WO-2009155448-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed