SCHEMBL4023530

SCHEMBL4023530

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 12/20 0.43
KMT2A Q03164 3/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HSD11B1 P28845 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4018783 0.92 KDM2B (0.43) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL4018780 0.92 KDM2B (0.43) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL13721307 0.92 KDM2B (0.43) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL4023604 0.88 KDM2B (0.42) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL4029278 0.88 KMT2A (0.36) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL4028175 0.87 KDM2B (0.41) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL4027144 0.87 KDM2B (0.41) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL4024597 0.86 KDM2B (0.45) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL4021398 0.86 KDM2B (0.45) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL4018633 0.84 KDM2B (0.39) KDM2BKMT2AHTTMEN1NPSR1

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed