SCHEMBL9979667

SCHEMBL9979667

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
NTRK1 P04629 2/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
STING1 Q86WV6 1/20 0.39
S1PR1 P21453 1/20 0.38
ABCG2 Q9UNQ0 4/20 0.38
ABCB1 P08183 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM3 P20309 1/20 0.38
DGAT1 O75907 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 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
SCHEMBL9979726 0.95 LMNA (0.42) LMNAPOLBNTRK1ALDH1A1TSHR
SCHEMBL9979537 0.93 LMNA (0.47) LMNAPOLBNTRK1ALDH1A1TSHR
SCHEMBL14578336 0.88 ATM (0.50) LMNAPOLBALDH1A1TSHRKDM4E
SCHEMBL13215993 0.87 LMNA (0.41) LMNAPOLBNTRK1ALDH1A1TSHR
SCHEMBL9979590 0.87 LMNA (0.46) LMNAPOLBNTRK1ALDH1A1KDM4E
SCHEMBL9979541 0.85 LMNA (0.44) LMNAPOLBNTRK1ALDH1A1TSHR
SCHEMBL1085471 0.81 LMNA (0.57) LMNAPOLBNTRK1ALDH1A1KDM4E
SCHEMBL14578335 0.80 KDM4E (0.40) LMNANTRK1ALDH1A1TSHRKDM4E
SCHEMBL14578270 0.80 LMNA (0.43) LMNAPOLBNTRK1ALDH1A1TSHR
SCHEMBL4100026 0.80 NTRK1 (0.56) 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