SCHEMBL4769873

SCHEMBL4769873

CCCOc1ccc(C(=O)NC(CCO)Cc2ccc(NC(=O)c3ccncc3)cc2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.45
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
ROCK2 O75116 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
IRAK1 P51617 1/20 0.43
PRKX P51817 1/20 0.43
LIMK1 P53667 1/20 0.43
PRKG2 Q13237 1/20 0.43
ROCK1 Q13464 1/20 0.43
PRKG1 Q13976 1/20 0.43
PKN2 Q16513 1/20 0.43
HIPK4 Q8NE63 1/20 0.43
AURKB Q96GD4 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43
KMT2A Q03164 6/20 0.42

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
SCHEMBL3469159 0.89 CENPE (0.51) SCDMAPTKDM4ESMN1; SMN2HTT
SCHEMBL2101923 0.89 CENPE (0.51) SCDMAPTKDM4ESMN1; SMN2HTT
SCHEMBL4774274 0.89 TAS1R3 (0.44) MAPTKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL2630562 0.88 MAPT (0.47) SCDMAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL13644428 0.85 TAS1R3 (0.41) MAPTKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL10214857 0.85 F10 (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL13183917 0.83 TAS1R3 (0.41) MAPTKDM4EROCK2KMT2AMEN1
SCHEMBL3233447 0.82 TAS1R3 (0.44) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL4773750 0.82 MAPT (0.49) MAPTKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL4561631 0.81 CENPE (0.49) SCDMAPTKDM4ESMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 EP disclosed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 EP disclosed
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 WO disclosed