SCHEMBL8524403

SCHEMBL8524403

N#CC(C(=O)c1ccc(-n2cncn2)cc1C(F)(F)F)C(=O)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.41
GPR119 Q8TDV5 3/20 0.36
MAPK10 P53779 1/20 0.35
CYP8B1 Q9UNU6 1/20 0.34
DPP4 P27487 2/20 0.33
HSD11B1 P28845 2/20 0.33
LRRK2 Q5S007 1/20 0.33
NOTUM Q6P988 5/20 0.33
F9 P00740 1/20 0.32

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
SCHEMBL8524776 0.82 ALDH1A1 (0.41) GPR119DPP4
SCHEMBL8524846 0.76 CTSS (0.40) CTSSGPR119MAPK10HSD11B1LRRK2
SCHEMBL8180740 0.76 MAPK10 (0.43) CTSSMAPK10LRRK2NOTUM
SCHEMBL1827343 0.75 MAPT (0.33) GPR119DPP4
SCHEMBL8606823 0.74 AR (0.37) NOTUM
SCHEMBL8607171 0.73 CACNA1B (0.43)
SCHEMBL8524448 0.71 GPR119 (0.37) CTSSGPR119MAPK10CYP8B1HSD11B1
SCHEMBL8524446 0.71 GPR119 (0.37) CTSSGPR119MAPK10CYP8B1HSD11B1
SCHEMBL8182356 0.71 HPD (0.42) CTSSGPR119MAPK10DPP4HSD11B1
SCHEMBL8175262 0.71 CYP1A2 (0.48) CTSSGPR119MAPK10LRRK2NOTUM

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-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed