SCHEMBL4393350

SCHEMBL4393350

COCC1CN(S(=O)(=O)c2nc3ccc(Cl)cc3[nH]2)CC(=O)N1C(c1ccnc(N(C)C)n1)C1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.37
IDO1 P14902 5/20 0.33
HRH4 Q9H3N8 4/20 0.32
IDH1 O75874 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL4390477 0.90 F10 (0.38) F10IDO1HRH4IDH1ALDH1A1
SCHEMBL4392578 0.89 KCNH2 (0.35) F10KCNH2
SCHEMBL4386121 0.89 KCNH2 (0.40) F10KCNH2
SCHEMBL1385204 0.85 F10 (0.39) F10
SCHEMBL1387128 0.84 F10 (0.43) F10IDO1HRH4IDH1ALDH1A1
SCHEMBL4396056 0.78 F10 (0.36) F10KCNH2
SCHEMBL1385505 0.78 F10 (0.39) F10IDH1ALDH1A1LMNAMAPT
SCHEMBL4390831 0.78 F10 (0.41) F10IDH1KCNH2
SCHEMBL1385998 0.74 F10 (0.40) F10
SCHEMBL1386665 0.73 F10 (0.42) 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