SCHEMBL4028175

SCHEMBL4028175

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 11/20 0.41
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.39
CACNA1G O43497 1/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL4023604 0.92 KDM2B (0.42) KDM2BKMT2AHTTCACNA1GMEN1
SCHEMBL4018780 0.90 KDM2B (0.43) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL13721307 0.90 KDM2B (0.43) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL4018783 0.90 KDM2B (0.43) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL4022496 0.88 KDM2B (0.33) KDM2BKMT2AMEN1ALDH1A1
SCHEMBL4021398 0.88 KDM2B (0.45) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL4027144 0.88 KDM2B (0.41) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL4023530 0.87 KDM2B (0.43) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL4776361 0.87 KMT2A (0.35) KDM2BKMT2AHTTCACNA1GMEN1
SCHEMBL4029178 0.86 KDM2B (0.43) 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