SCHEMBL8524146

SCHEMBL8524146

O=C(c1ccc(-n2cncn2)cc1C(F)(F)F)c1cnoc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.38
MAPK10 P53779 1/20 0.37
PDE2A O00408 1/20 0.37
CTSS P25774 1/20 0.37
EPHX2 P34913 2/20 0.36
LRRK2 Q5S007 1/20 0.36
CRACR2A Q9BSW2 1/20 0.36
HSD11B1 P28845 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
F9 P00740 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
SYK P43405 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
TTK P33981 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL8491301 0.85 F9 (0.42) PDE2ACRACR2AF9GPR119SYK
SCHEMBL8524449 0.83 PDE2A (0.39) PDE2AEPHX2F9GPR119SYK
SCHEMBL8492423 0.83 PDE2A (0.38) PDE2AEPHX2F9GPR119SYK
SCHEMBL8524536 0.82 PDE2A (0.38) PDE2ACTSSHSD11B1F9GPR119
SCHEMBL8525576 0.82 DHODH (0.44) DHODHPDE2AEPHX2KDM4EALDH1A1
SCHEMBL8166576 0.81 NR1H4 (0.39) MAPK10CTSSLRRK2HSD11B1NR1H4
SCHEMBL1822485 0.81 PDE2A (0.38) DHODHPDE2AEPHX2CRACR2ASYK
SCHEMBL8525429 0.78 NR1H4 (0.40) MAPK10NR1H4F9GPR119SMN1; SMN2
SCHEMBL8494851 0.78 DHODH (0.53) DHODHEPHX2CRACR2AKDM4EALDH1A1
SCHEMBL9116214 0.78 DHODH (0.44) DHODHEPHX2CRACR2A

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