SCHEMBL9979648

SCHEMBL9979648

CO/N=C(\C)c1ccc(-c2cc(F)ccc2NC(=O)c2cn(C)nc2C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
WDR5 P61964 3/20 0.42
STING1 Q86WV6 1/20 0.42
CYP3A4 P08684 2/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
CHRM3 P20309 6/20 0.39
GAA P10253 3/20 0.39
NTRK1 P04629 1/20 0.39
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL5340259 0.89 LMNA (0.49) LMNAPOLBWDR5STING1CYP3A4
SCHEMBL1136137 0.88 LMNA (0.54) LMNAPOLBWDR5STING1CYP3A4
SCHEMBL1136025 0.85 LMNA (0.51) LMNAPOLBWDR5STING1CYP3A4
SCHEMBL1136177 0.84 LMNA (0.64) LMNAPOLBWDR5STING1CHRM3
SCHEMBL13491717 0.84 LMNA (0.52) LMNAPOLBWDR5CHRM3GAA
SCHEMBL16618150 0.83 LMNA (0.63) LMNAPOLBWDR5CHRM3NTRK1
SCHEMBL1144935 0.82 LMNA (0.53) LMNAPOLBWDR5STING1CYP3A4
SCHEMBL3086673 0.82 LMNA (0.46) LMNAPOLBWDR5CYP3A4NR3C1
SCHEMBL303303 0.81 LMNA (0.53) LMNAPOLBWDR5STING1CHRM3
SCHEMBL29445400 0.81 LMNA (0.48) LMNAPOLBWDR5CYP3A4CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305292-B1 BIPHENYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2012-06-20 EP disclosed
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US disclosed
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US disclosed