SCHEMBL8525756

SCHEMBL8525756

Cc1cc(OC(=O)c2ccc(-n3cncn3)cc2C(F)(F)F)n(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK10 P53779 1/20 0.37
LRRK2 Q5S007 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM2 Q14416 1/20 0.34
NOTUM Q6P988 1/20 0.33
POLB P06746 1/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
HSD11B1 P28845 2/20 0.33
F9 P00740 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL8526165 0.86 LRRK2 (0.38) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8175262 0.81 CYP1A2 (0.48) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8180740 0.77 MAPK10 (0.43) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8525055 0.75 MAPK10 (0.35) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8524608 0.75 MAPT (0.35) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8524143 0.74 LRRK2 (0.38) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8183594 0.74 MAPK10 (0.37) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8181128 0.74 HSD11B1 (0.40) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8177966 0.74 MAPT (0.41) MAPTHSP90AA1HTTSMN1; SMN2MAPK10
SCHEMBL8525951 0.74 MAPT (0.41) MAPTHSP90AA1HTTSMN1; SMN2MAPK10

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