SCHEMBL4392578

SCHEMBL4392578

COCC1CN(S(=O)(=O)c2cc3ccc(Cl)cc3[nH]2)CC(=O)N1C(c1ccnc(N(C)C)n1)C1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
F10 P00742 14/20 0.34

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
SCHEMBL4386121 0.95 KCNH2 (0.40) KCNH2F10
SCHEMBL4396056 0.90 F10 (0.36) KCNH2F10
SCHEMBL4393350 0.89 F10 (0.37) KCNH2F10
SCHEMBL1385204 0.87 F10 (0.39) F10
SCHEMBL4390831 0.85 F10 (0.41) KCNH2F10
SCHEMBL1387117 0.83 F10 (0.39) KCNH2F10
SCHEMBL4390477 0.79 F10 (0.38) F10
SCHEMBL1386921 0.78 F10 (0.45) KCNH2F10
SCHEMBL1386783 0.78 KCNH2 (0.40) KCNH2F10
SCHEMBL1385998 0.76 F10 (0.40) F10

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
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed