SCHEMBL8525817

SCHEMBL8525817

Cc1nn(C)c(OC(=O)c2ccccc2)c1C(=O)c1ccc(-n2cncn2)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.36
ABCB1 P08183 2/20 0.35
PTGER4 P35408 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 2/20 0.32
HSP90AA1 P07900 1/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
LRRK2 Q5S007 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL8525055 0.89 MAPK10 (0.35) MAPK10ABCB1GPBAR1MAPTSMN1; SMN2
SCHEMBL8524143 0.87 LRRK2 (0.38) MAPK10MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8525843 0.86 PTGER1 (0.39) MAPK10ABCB1LMNAMAPTSMN1; SMN2
SCHEMBL8525951 0.86 MAPT (0.41) MAPK10ABCB1MAPTALDH1A1HPGD
SCHEMBL8524806 0.85 MAPK10 (0.39) MAPK10LMNAMAPTALDH1A1HPGD
SCHEMBL8524723 0.85 MAPK10 (0.35) MAPK10ABCB1PTGER4GPBAR1LMNA
SCHEMBL8652662 0.82 MAPT (0.36) MAPK10ABCB1GPBAR1MAPTSMN1; SMN2
SCHEMBL8524608 0.82 MAPT (0.35) MAPK10GPBAR1LMNAMAPTALDH1A1
SCHEMBL8524684 0.81 MAPT (0.33) MAPK10ABCB1PTGER4LMNAMAPT
SCHEMBL8524279 0.81 LRRK2 (0.35) MAPK10PTGER4LMNAMAPTSMN1; SMN2

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