SCHEMBL4026452

SCHEMBL4026452

Cc1cccc([C@@H]2[C@@H](C(=O)c3cccc(F)c3)CN(CCO)C[C@H]2C(=O)c2cccc(F)c2)c1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.35
GRIN2B Q13224 1/20 0.35
MCHR1 Q99705 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
SCHEMBL4028159 0.91 ALDH1A1 (0.39) ALDH1A1GAAKMT2AMEN1CYP2C9
SCHEMBL4021692 0.89 ALDH1A1 (0.38) ALDH1A1GAAKMT2AMEN1CYP2C9
SCHEMBL4021786 0.88 ALDH1A1 (0.42) ALDH1A1GAAKMT2AMEN1
SCHEMBL4780207 0.88 L3MBTL1 (0.37) ALDH1A1KMT2AMEN1LMNA
SCHEMBL4772352 0.88 L3MBTL1 (0.37) ALDH1A1KMT2AMEN1LMNA
SCHEMBL4022116 0.87 CYP2C9 (0.41) ALDH1A1GAAKMT2AMEN1CYP2C9
SCHEMBL4020281 0.86 EED (0.34) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL4022948 0.85 ALDH1A1 (0.39) ALDH1A1GAAKMT2AMEN1CYP2C9
SCHEMBL4022953 0.85 ALDH1A1 (0.39) ALDH1A1GAAKMT2AMEN1CYP2C9
SCHEMBL4019805 0.85 ALDH1A1 (0.41) ALDH1A1GAAKMT2AMEN1CYP2C19

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