SCHEMBL7659198

SCHEMBL7659198

COc1nc(N2C(=O)C3CCCCN3C2=O)c(F)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
KMT2A Q03164 4/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR1 P21453 1/20 0.33
BRD4 O60885 2/20 0.32
TAF1 P21675 2/20 0.32
MEN1 O00255 2/20 0.32
ALOX15 P16050 2/20 0.32
MAPK1 P28482 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
RUNX1 Q01196 1/20 0.32
CBFB Q13951 1/20 0.32
KDM4E B2RXH2 3/20 0.31

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
SCHEMBL7596261 0.84 AR (0.41) ARKMT2AMAPTCYP1A2CYP3A4
SCHEMBL9389966 0.76 AR (0.45) ARKMT2AGAAMAPTCYP1A2
SCHEMBL9382971 0.73 AR (0.42) ARGAAMAPTCYP1A2CYP3A4
SCHEMBL9796642 0.71 AR (0.43) ARKMT2AGAAMAPTCYP1A2
SCHEMBL9384537 0.71 AR (0.39) ARKMT2AGAAMAPTCYP1A2
SCHEMBL9796724 0.69 PPOX (0.37) ARGAACYP1A2CYP3A4CYP2C9
SCHEMBL9384103 0.69 PPOX (0.41) ARKMT2AGAACYP1A2CYP3A4
SCHEMBL7659202 0.67 GAA (0.34) KMT2AGAAMEN1KDM4EALDH1A1
SCHEMBL10940936 0.67 PPOX (0.47) ARKMT2AGAAMAPTKDM4E
SCHEMBL10613566 0.67 PPOX (0.65) ARKMT2AMAPTMAPK1ALDH1A1

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
US-6380134-B1 USED FOR CONTROLLING WEEDS SYNGENTA CROP PROTECTION, INC. 2002-04-30 US disclosed