SCHEMBL8525576

SCHEMBL8525576

O=C(c1ccc(C(F)(F)F)cc1-n1cncn1)c1cnoc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MGLL Q99685 1/20 0.39
HCRTR1 O43613 1/20 0.38
PDE2A O00408 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 2/20 0.36
CNR1 P21554 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL8525069 0.84 HCRTR1 (0.44) DHODHALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8524146 0.82 DHODH (0.38) DHODHALDH1A1KDM4EPDE2ASMN1; SMN2
SCHEMBL8179364 0.81 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL1822485 0.81 PDE2A (0.38) DHODHALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8524250 0.78 LMNA (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL8494851 0.78 DHODH (0.53) DHODHALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8491301 0.77 F9 (0.42) ALDH1A1MAPTKDM4EPDE2ASMN1; SMN2
SCHEMBL8495024 0.77 DHODH (0.52) DHODHALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1822437 0.76 PDE2A (0.43) DHODHALDH1A1MAPTKDM4EMGLL
SCHEMBL8183530 0.76 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT

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