SCHEMBL46957

SCHEMBL46957

CNC(=O)c1cc(N)cc(C)c1NC(=O)c1cc(C(=O)c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.35
DGAT2 Q96PD7 3/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
PDE4B Q07343 2/20 0.32
TGFBR1 P36897 1/20 0.32
BTK Q06187 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
CRACR2A Q9BSW2 1/20 0.32
NTRK1 P04629 4/20 0.31
TRPV1 Q8NER1 1/20 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
SCHEMBL10118297 0.90 OPRL1 (0.36) OPRL1DGAT2MAPK13MAPK12MAPK11
SCHEMBL4082479 0.88 CARM1 (0.40) PDE4BTRPV1
SCHEMBL10118298 0.83 OPRL1 (0.35) OPRL1DGAT2MAPK13MAPK12MAPK11
SCHEMBL14405305 0.82 DHODH (0.36) MALT1NTRK1
SCHEMBL13287802 0.80 DHODH (0.43) MALT1NTRK1
SCHEMBL25702787 0.80 TRPV1 (0.39) PDE4BMALT1TRPV1
SCHEMBL12911856 0.80 CARM1 (0.39) PDE4BTRPV1
SCHEMBL782368 0.80 CARM1 (0.39) PDE4BTGFBR1MALT1TRPV1
SCHEMBL2935274 0.80 CARM1 (0.36) PDE4BTRPV1
SCHEMBL4083823 0.80 CARM1 (0.37) PDE4BNTRK1

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-2011157654-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-12-22 WO disclosed