SCHEMBL9979540

SCHEMBL9979540

CO/N=C(\C)c1ccc(-c2ccccc2NC(=O)c2cn(C)cc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 3/20 0.42
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.38
NPY2R P49146 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL14578334 1.00 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAHTTMAPT
SCHEMBL14578332 0.87 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAHTTMAPT
SCHEMBL14578390 0.86 NTRK1 (0.41) ALDH1A1KDM4ELMNAHTTMAPT
SCHEMBL9979721 0.83 ATM (0.55) ALDH1A1KDM4ELMNAHTTMAPT
SCHEMBL14578376 0.83 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAHTTMAPT
SCHEMBL13848814 0.81 NTRK1 (0.53) ALDH1A1KDM4ELMNAHTTMAPT
SCHEMBL14578409 0.76 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAHTTMAPT
SCHEMBL14578387 0.76 TDP1 (0.69) ALDH1A1KDM4ELMNAHTTMAPT
SCHEMBL5111904 0.76 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAHTTMAPT
SCHEMBL5111902 0.76 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAHTTMAPT

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