SCHEMBL9979726

SCHEMBL9979726

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
STING1 Q86WV6 1/20 0.40
NTRK1 P04629 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
S1PR1 P21453 1/20 0.37
ABCG2 Q9UNQ0 4/20 0.37
ABCB1 P08183 1/20 0.37
DDX3X O00571 1/20 0.37
DGAT1 O75907 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
CHRM3 P20309 1/20 0.37
NR3C1 P04150 1/20 0.37
SOAT1 P35610 1/20 0.36

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
SCHEMBL9979667 0.95 LMNA (0.43) LMNAPOLBSTING1NTRK1ALDH1A1
SCHEMBL9979537 0.91 LMNA (0.47) LMNAPOLBSTING1NTRK1ALDH1A1
SCHEMBL13215993 0.86 LMNA (0.41) LMNAPOLBSTING1NTRK1ALDH1A1
SCHEMBL14578270 0.86 LMNA (0.43) LMNAPOLBSTING1NTRK1PPARG
SCHEMBL9979590 0.85 LMNA (0.46) LMNAPOLBSTING1NTRK1ALDH1A1
SCHEMBL14578336 0.83 ATM (0.50) LMNAPOLBALDH1A1KDM4ETSHR
SCHEMBL14578115 0.81 GAA (0.40) LMNAPPARGPPARAALDH1A1KDM4E
SCHEMBL9979541 0.80 LMNA (0.44) LMNAPOLBSTING1NTRK1PPARG
SCHEMBL13936365 0.80 GAA (0.57) LMNAPOLBNTRK1ALDH1A1KDM4E
SCHEMBL1085471 0.80 LMNA (0.57) 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