SCHEMBL4743101

SCHEMBL4743101

COc1cc(F)c(C(=O)c2ccc(Cl)cc2)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.64
POLB P06746 1/20 0.55
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
PTGS2 P35354 2/20 0.48
CDK4 P11802 1/20 0.45
CDK2 P24941 1/20 0.45
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
KMT2A Q03164 3/20 0.44
ELANE P08246 1/20 0.44
CNR1 P21554 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4746727 0.83 HPGD (0.68) HPGDPOLBMAPTRAB9APTGS2
SCHEMBL4479518 0.83 POLB (0.67) HPGDPOLBMAPTRAB9AMAOB
SCHEMBL4746236 0.79 MAPK1 (0.59) HPGDMAPTRAB9APTGS2CDK2
SCHEMBL38661406 0.79 CYP2D6 (0.54) HPGDMAPTRAB9AKMT2AMEN1
SCHEMBL2466074 0.78 HPGD (1.00) HPGDPOLBMAPTRAB9APTGS2
SCHEMBL28061936 0.78 MAPT (0.70) HPGDPOLBMAPTRAB9APTGS2
SCHEMBL8132899 0.76 MKNK2 (0.52) HPGDPOLBMAPTRAB9AMAOB
SCHEMBL8481431 0.76 ALDH1A1 (0.56) MAPTRAB9AMAOAKMT2ALMNA
SCHEMBL8481123 0.75 CA1 (0.53) MAPTRAB9AMAOAKMT2AMEN1
SCHEMBL8480798 0.75 CA1 (0.53) HPGDPOLBMAPTKMT2AMEN1

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
WO-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed