SCHEMBL13635537

SCHEMBL13635537

O=c1c(Br)c(CCc2ccc(F)cc2F)cc(CO)n1Cc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.44
GRIN1 Q05586 7/20 0.41
GRIN2B Q13224 7/20 0.41
GABRA1 P14867 2/20 0.38
GABRA5 P31644 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL4383534 0.85 MAPK14 (0.59) MAPK14
SCHEMBL3518438 0.77 MAPK14 (0.49) MAPK14
SCHEMBL4377968 0.76 GRIN1 (0.45) MAPK14GRIN1GRIN2B
SCHEMBL4380789 0.76 NPSR1 (0.47) MAPK14GRIN1GRIN2BGABRA1GABRA5
SCHEMBL3525752 0.74 MAPK14 (0.44) MAPK14GRIN1GRIN2B
SCHEMBL3522901 0.74 MAPK14 (0.54) MAPK14
SCHEMBL4376242 0.73 MAPK14 (0.65) MAPK14
SCHEMBL4381130 0.73 MAPK14 (0.72) MAPK14
SCHEMBL4390072 0.73 MAPK14 (0.48) MAPK14GRIN1GRIN2B
SCHEMBL13635178 0.73 MAPK14 (0.56) MAPK14

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