SCHEMBL8524608

SCHEMBL8524608

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK10 P53779 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35
LRRK2 Q5S007 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
F9 P00740 2/20 0.33
HSD11B1 P28845 1/20 0.33
GRM2 Q14416 1/20 0.33
CTSS P25774 1/20 0.32
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
LMNA P02545 1/20 0.32
GPBAR1 Q8TDU6 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
SCHEMBL8524143 0.87 LRRK2 (0.38) MAPTSMN1; SMN2MAPK10HSP90AA1HTT
SCHEMBL8525951 0.86 MAPT (0.41) MAPTSMN1; SMN2MAPK10HSP90AA1HTT
SCHEMBL8525055 0.85 MAPK10 (0.35) MAPTSMN1; SMN2MAPK10HSP90AA1HTT
SCHEMBL8652662 0.82 MAPT (0.36) MAPTSMN1; SMN2MAPK10HSP90AA1HTT
SCHEMBL8524688 0.82 LRRK2 (0.39) MAPTSMN1; SMN2MAPK10HSP90AA1HTT
SCHEMBL8524279 0.82 LRRK2 (0.35) MAPTSMN1; SMN2MAPK10HSP90AA1HTT
SCHEMBL8525843 0.82 PTGER1 (0.39) MAPTSMN1; SMN2MAPK10HSP90AA1HTT
SCHEMBL8524684 0.82 MAPT (0.33) MAPTSMN1; SMN2MAPK10HSP90AA1HTT
SCHEMBL8525817 0.82 MAPK10 (0.36) MAPTSMN1; SMN2MAPK10HSP90AA1HTT
SCHEMBL8524723 0.81 MAPK10 (0.35) MAPTSMN1; SMN2MAPK10HSP90AA1HTT

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