SCHEMBL4390831

SCHEMBL4390831

CC1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CC(=O)N1C(c1ccnc(N(C)C)n1)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.41
KCNH2 Q12809 1/20 0.40
KLK1 P06870 1/20 0.36
IDH1 O75874 1/20 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
SCHEMBL4396056 0.95 F10 (0.36) F10KCNH2KLK1
SCHEMBL4386121 0.90 KCNH2 (0.40) F10KCNH2
SCHEMBL1386921 0.87 F10 (0.45) F10KCNH2KLK1
SCHEMBL4390477 0.87 F10 (0.38) F10IDH1
SCHEMBL4392578 0.85 KCNH2 (0.35) F10KCNH2
SCHEMBL1385998 0.83 F10 (0.40) F10
SCHEMBL1387117 0.82 F10 (0.39) F10KCNH2KLK1
SCHEMBL4393350 0.78 F10 (0.37) F10KCNH2IDH1
SCHEMBL4936205 0.75 F10 (0.48) F10KCNH2KLK1
SCHEMBL1387128 0.74 F10 (0.43) F10IDH1

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