SCHEMBL19980331

SCHEMBL19980331

CCCOc1ccc(C(F)(F)F)cc1NC=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.66
MAPK1 P28482 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 5/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 2/20 0.47
SCN8A Q9UQD0 2/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
PPARG P37231 3/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL5468286 0.81 MAPT (0.54) MAPTMAPK1NPSR1ALDH1A1HSD17B10
SCHEMBL28179876 0.78 MAPT (0.55) MAPTMAPK1NPSR1ALDH1A1HSD17B10
SCHEMBL19980084 0.78 MAPT (0.55) MAPTMAPK1NPSR1KDM4EKMT2A
SCHEMBL22048143 0.76 KDM4E (0.51) MAPTMAPK1NPSR1ALDH1A1HSD17B10
SCHEMBL14471138 0.76 PPARG (0.51) ALDH1A1HSD17B10KDM4EPPARGPPARD
SCHEMBL955509 0.75 CYP1A1 (0.46) MAPTALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL22748931 0.75 MAPT (0.48) MAPTMAPK1NPSR1ALDH1A1HSD17B10
SCHEMBL30029803 0.75 MAPT (0.48) MAPTMAPK1NPSR1ALDH1A1HSD17B10
SCHEMBL17088080 0.74 ALDH1A1 (0.52) MAPTALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL8957741 0.74 ALDH1A1 (0.54) MAPTMAPK1NPSR1ALDH1A1HSD17B10

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-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed