SCHEMBL4338035

SCHEMBL4338035

COc1cccc(C(=O)C2CN(CCN)CC(C(=O)c3cccc(O)c3)C2c2cccc(F)c2C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 11/20 0.41
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MGLL Q99685 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSD11B1 P28845 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 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
SCHEMBL4338025 1.00 KDM2B (0.41) KDM2BKMT2AHTTESR1ESR2
SCHEMBL4026114 1.00 KDM2B (0.41) KDM2BKMT2AHTTESR1ESR2
SCHEMBL4021398 0.95 KDM2B (0.45) KDM2BKMT2AHTTMEN1NPSR1
SCHEMBL4025770 0.93 KDM2B (0.41) KDM2BKMT2AHTTESR1ESR2
SCHEMBL4024540 0.93 MEN1 (0.35) KDM2BKMT2AMEN1MGLLALDH1A1
SCHEMBL4024525 0.93 MEN1 (0.35) KDM2BKMT2AMEN1MGLLALDH1A1
SCHEMBL13720775 0.93 MEN1 (0.35) KDM2BKMT2AMEN1MGLLALDH1A1
SCHEMBL4021139 0.92 KDM2B (0.43) KDM2BKMT2AHTTESR1ESR2
SCHEMBL4028033 0.91 KDM2B (0.40) KDM2BKMT2AHTTESR1ESR2
SCHEMBL4029178 0.90 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