SCHEMBL9979549

SCHEMBL9979549

CO/N=C/c1ccc(-c2ccccc2NC(=O)c2cn(C)nc2C(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.46
NTRK1 P04629 4/20 0.38
CHRM3 P20309 7/20 0.38
STING1 Q86WV6 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PRNP P04156 1/20 0.35
RECQL P46063 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL9979528 0.92 LMNA (0.44) LMNAPOLBNTRK1CHRM3STING1
SCHEMBL343328 0.91 NTRK1 (0.43) LMNAPOLBNTRK1CHRM3STING1
SCHEMBL343329 0.91 NTRK1 (0.43) LMNAPOLBNTRK1CHRM3STING1
SCHEMBL9979686 0.90 LMNA (0.36) LMNAPOLBCHRM3HTTGAA
SCHEMBL9979547 0.87 LMNA (0.47) LMNAPOLBNTRK1CHRM3STING1
SCHEMBL14578389 0.87 LMNA (0.47) LMNAPOLBNTRK1CHRM3STING1
SCHEMBL14578312 0.85 LMNA (0.44) LMNAPOLBNTRK1CHRM3STING1
SCHEMBL2351992 0.85 LMNA (0.55) LMNAPOLBNTRK1CHRM3STING1
SCHEMBL14578331 0.80 NPC1 (0.40) LMNAKDM4EALDH1A1HTTMAPT
SCHEMBL14578046 0.80 LMNA (0.68) LMNAPOLBNTRK1CHRM3STING1

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