SCHEMBL4022727

SCHEMBL4022727

CCOC(=O)c1cc2c(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)nc2n(CCC(F)(F)F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.42
KMT2A Q03164 2/20 0.41
CASP1 P29466 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
APP P05067 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 4/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CASP7 P55210 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL4181240 0.89 CNR1 (0.49) CASP1TP53RXFP1CASP7
SCHEMBL4019604 0.86 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2MEN1PPP1CALMNA
SCHEMBL4190428 0.81 CNR1 (0.42) MAPTKDM4EALDH1A1MAPK1
SCHEMBL4024702 0.80 CNR1 (0.48) CASP1TP53RXFP1KDM4EALDH1A1
SCHEMBL4192532 0.78 CNR1 (0.46)
SCHEMBL4021209 0.78 CNR1 (0.47)
SCHEMBL4027019 0.77 CNR1 (0.46)
SCHEMBL4024237 0.76 KDM4E (0.48) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL4024815 0.76 RPA1 (0.44)
SCHEMBL4020761 0.76 CNR1 (0.45) CASP1TP53RXFP1ALDH1A1CASP7

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-2009095752-A1 FUSED PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-08-06 WO disclosed