SCHEMBL1386027

SCHEMBL1386027

COC(=O)C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3[nH]2)CC(=O)N1Cc1ccc2c(N)ncnc2c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.62
KCNH2 Q12809 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
SCHEMBL1384926 1.00 F10 (0.62) F10KCNH2
SCHEMBL1386821 0.95 F10 (0.61) F10KCNH2
SCHEMBL1385570 0.95 F10 (0.61) F10KCNH2
SCHEMBL1386569 0.90 F10 (0.57) F10KCNH2
SCHEMBL4387457 0.90 F10 (0.57) F10KCNH2
SCHEMBL1387135 0.90 F10 (0.57) F10KCNH2
SCHEMBL1385027 0.89 F10 (0.68) F10KCNH2
SCHEMBL4390843 0.89 F10 (0.57) F10KCNH2
SCHEMBL1387100 0.89 F10 (0.57) F10KCNH2
SCHEMBL1387112 0.89 F10 (0.57) F10KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829449-B2 2011-12-07 JP claimed
JP-2003508353-A 2003-03-04 JP claimed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP claimed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO claimed