SCHEMBL4774945

SCHEMBL4774945

C[S+]([O-])N(Cc1ccccc1Cl)c1ccc(C(CC(N)=O)c2cccnc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.39
KCNA5 P22460 3/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
PDE4D Q08499 1/20 0.36
TBXAS1 P24557 1/20 0.35

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
SCHEMBL4776096 0.82 GAA (0.57) NAMPTKCNA5GAALMNA
SCHEMBL17591689 0.72 LMNA (0.54) KCNA5GAALMNAPDE4DTBXAS1
SCHEMBL4836320 0.72 P2RX7 (0.43)
SCHEMBL4777390 0.71 HTR2A (0.34) NAMPT
SCHEMBL4777704 0.70 MEN1 (0.34)
SCHEMBL4770634 0.67 NPC1 (0.52) NAMPTGAALMNA
SCHEMBL8319920 0.65 PDE4D (0.48) KCNA5GAALMNAPDE4DTBXAS1
SCHEMBL11990053 0.64 TBXAS1 (0.63) KCNA5LMNAPDE4DTBXAS1
SCHEMBL4531132 0.64 CYP2C19 (0.48) LMNA
SCHEMBL28682706 0.63 CYP2C19 (0.53) LMNATBXAS1

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
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed