SCHEMBL13635595

SCHEMBL13635595

Cc1c(NCc2ccccc2)c(Br)c(=O)n(-c2c(F)cccc2F)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BRD4 O60885 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
GNRHR P30968 3/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MDM2 Q00987 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
PDE7A Q13946 2/20 0.35
NPBWR1 P48145 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
SCHEMBL4377722 0.88 GNRHR (0.38) MAPK14RAB9ASMN1; SMN2BRD4BRD9
SCHEMBL4375953 0.70 MAPK14 (0.37) MAPK14GNRHRPDE7APDE4APDE4B
SCHEMBL4469946 0.70 MAPK14 (0.41) MAPK14RAB9ASMN1; SMN2GNRHRNPC1
SCHEMBL4377030 0.70 MAPK14 (0.46) MAPK14RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10546027 0.68 KMT2A (0.50) MAPTMAPK1LMNAHTTCA12
SCHEMBL4378496 0.67 MAPK14 (0.75) MAPK14
SCHEMBL3525531 0.66 MAPK14 (0.47) MAPK14RAB9ASMN1; SMN2ALDH1A1PDE7A
SCHEMBL21667355 0.64 MEN1 (0.47) MAPK14SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL13887501 0.64 MAPKAPK2 (0.53) SMN1; SMN2BRD4BRD9ALDH1A1MAPT
SCHEMBL4477435 0.63 NFE2L2 (0.41) MAPK14RAB9ASMN1; SMN2LMNAPDE7A

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
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed