SCHEMBL8166576

SCHEMBL8166576

CSc1noc(C2CC2)c1C(=O)c1ccc(-n2cncn2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.39
HSD11B1 P28845 1/20 0.34
CTSS P25774 1/20 0.34
IDO1 P14902 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
F9 P00740 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
TTK P33981 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAPK10 P53779 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
SCHEMBL8178667 0.87 F9 (0.41) GPR119F9MEN1KMT2APCSK9
SCHEMBL8179364 0.84 ALDH1A1 (0.38) IDO1
SCHEMBL8525429 0.82 NR1H4 (0.40) NR1H4IDO1GPR119F9MEN1
SCHEMBL8524146 0.81 DHODH (0.38) NR1H4HSD11B1CTSSGPR119F9
SCHEMBL8173897 0.81 KMT2A (0.38) NR1H4KMT2A
SCHEMBL12267819 0.78 KDM4E (0.32)
SCHEMBL8179859 0.74 MAPK14 (0.33) NR1H4
SCHEMBL8492423 0.73 PDE2A (0.38) GPR119F9MEN1KMT2APCSK9
SCHEMBL8524135 0.73 SMN1; SMN2 (0.39) GPR119F9MEN1KMT2A
SCHEMBL8494675 0.72 NR1H4 (0.38) NR1H4

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-2000035916-A1 HERBICIDAL 4-BENZOYLISOXAZOLES AVENTIS CROPSCIENCE S.A. (FR) 2000-06-22 WO disclosed