SCHEMBL4020327

SCHEMBL4020327

COc1ccc(F)c(C(=O)[C@H]2CN(CCO)C[C@H](C(=O)c3cc(OC)ccc3F)C2c2cccc(F)c2C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 3/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MCHR1 Q99705 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MGLL Q99685 1/20 0.36
POLB P06746 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL4024597 0.88 KDM2B (0.45) ALDH1A1MEN1KMT2A
SCHEMBL4026485 0.87 ALDH1A1 (0.48) ALDH1A1TP53MEN1KMT2A
SCHEMBL4022304 0.87 TAS1R3 (0.39) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4025103 0.85 KDM2B (0.41) ALDH1A1KDM4EMCHR1MEN1KMT2A
SCHEMBL4025770 0.84 KDM2B (0.41) ALDH1A1MEN1KMT2AMGLL
SCHEMBL4022832 0.83 KDM2B (0.43) KDM4EMEN1KMT2A
SCHEMBL4027142 0.82 CYP2D6 (0.34) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL4027984 0.82 TAS1R3 (0.37) ALDH1A1MEN1KMT2APOLB
SCHEMBL4026436 0.81 KDM2B (0.42) ALDH1A1MCHR1MEN1KMT2A
SCHEMBL4019728 0.81 TAS1R3 (0.36) ALDH1A1MEN1KMT2AMGLL

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