SCHEMBL9979547

SCHEMBL9979547

CO/N=C\c1ccc(-c2ccccc2NC(=O)c2cn(C)nc2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.47
NTRK1 P04629 3/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM3 P20309 1/20 0.38
STING1 Q86WV6 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 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
SCHEMBL14578389 1.00 LMNA (0.47) LMNAPOLBNTRK1ALDH1A1KDM4E
SCHEMBL14578312 0.91 LMNA (0.44) LMNAPOLBNTRK1ALDH1A1KDM4E
SCHEMBL9979529 0.91 LMNA (0.45) LMNAPOLBNTRK1ALDH1A1KDM4E
SCHEMBL9979697 0.90 LMNA (0.47) LMNAPOLBNTRK1ALDH1A1KDM4E
SCHEMBL9979682 0.89 LMNA (0.49) LMNAPOLBNTRK1ALDH1A1KDM4E
SCHEMBL9979528 0.89 LMNA (0.44) LMNAPOLBNTRK1ALDH1A1KDM4E
SCHEMBL9979541 0.89 LMNA (0.44) LMNAPOLBNTRK1ALDH1A1KDM4E
SCHEMBL13215978 0.88 LMNA (0.43) LMNAPOLBNTRK1ALDH1A1KDM4E
SCHEMBL343328 0.88 NTRK1 (0.43) LMNAPOLBNTRK1ALDH1A1KDM4E
SCHEMBL14578270 0.88 LMNA (0.43) LMNAPOLBNTRK1ALDH1A1KDM4E

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