SCHEMBL4028319

SCHEMBL4028319

COc1cccc(C(=O)[C@H]2CN(CC(C)(C)O)C[C@H](C(=O)c3cccc(OC)c3)C2c2cccc(F)c2C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 10/20 0.43
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
GRIN2B Q13224 1/20 0.38
HSD11B1 P28845 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4022303 0.87 KDM2B (0.34) KDM2BKMT2AMEN1
SCHEMBL4021398 0.87 KDM2B (0.45) KDM2BKMT2AHTTALDH1A1MEN1
SCHEMBL4024597 0.87 KDM2B (0.45) KDM2BKMT2AHTTALDH1A1MEN1
SCHEMBL4751398 0.85 KMT2A (0.47) KDM2BKMT2AHTTALDH1A1MEN1
SCHEMBL4022832 0.85 KDM2B (0.43) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL13721307 0.85 KDM2B (0.43) KDM2BKMT2AHTTALDH1A1MEN1
SCHEMBL4018780 0.85 KDM2B (0.43) KDM2BKMT2AHTTALDH1A1MEN1
SCHEMBL4027956 0.85 KDM2B (0.43) KDM2BKMT2AHTTALDH1A1MEN1
SCHEMBL4029178 0.85 KDM2B (0.43) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL4018783 0.85 KDM2B (0.43) KDM2BKMT2AHTTALDH1A1MEN1

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
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed