SCHEMBL15955949

SCHEMBL15955949

CC1CCC(CNC(=O)c2ccnc(F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54
ACACB O00763 1/20 0.49
ACACA Q13085 1/20 0.49
MAPK14 Q16539 12/20 0.48
AR P10275 3/20 0.47
PREP P48147 1/20 0.44
FAP Q12884 1/20 0.44
CYP2C9 P11712 2/20 0.43
MAPK11 Q15759 1/20 0.43

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
SCHEMBL15962769 1.00 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2ACACBACACA
SCHEMBL15962770 1.00 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2ACACBACACA
SCHEMBL2863458 0.93 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2ACACBACACA
SCHEMBL2857149 0.88 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2ACACBACACA
SCHEMBL2858442 0.88 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2ACACBACACA
SCHEMBL2863438 0.87 MEN1 (0.56) TAS1R3TAS1R1TAS1R2
SCHEMBL15962660 0.85 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2ACACBACACA
SCHEMBL15962715 0.84 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2ACACBACACA
SCHEMBL4008202 0.82 ACACB (0.55) ACACBACACAMAPK14ARCYP2C9
SCHEMBL15962659 0.80 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2PREPFAP

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-2014124988-A1 PYRIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2014-08-21 WO disclosed