SCHEMBL9979541

SCHEMBL9979541

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
NTRK1 P04629 2/20 0.40
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM3 P20309 2/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
STING1 Q86WV6 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 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
SCHEMBL14578270 0.95 LMNA (0.43) LMNAPOLBNTRK1ALDH1A1L3MBTL1
SCHEMBL9979529 0.93 LMNA (0.45) LMNAPOLBNTRK1ALDH1A1L3MBTL1
SCHEMBL9979547 0.89 LMNA (0.47) LMNAPOLBNTRK1ALDH1A1L3MBTL1
SCHEMBL14578389 0.89 LMNA (0.47) LMNAPOLBNTRK1ALDH1A1L3MBTL1
SCHEMBL13215978 0.89 LMNA (0.43) LMNAPOLBNTRK1ALDH1A1L3MBTL1
SCHEMBL14578422 0.87 ATM (0.51) LMNAPOLBALDH1A1L3MBTL1PPARG
SCHEMBL13215923 0.87 LMNA (0.42) LMNAPOLBNTRK1CHRM3IRAK4
SCHEMBL9979697 0.87 LMNA (0.47) LMNAPOLBNTRK1ALDH1A1L3MBTL1
SCHEMBL9979682 0.86 LMNA (0.49) LMNAPOLBNTRK1ALDH1A1L3MBTL1
SCHEMBL9979667 0.85 LMNA (0.43) LMNAPOLBNTRK1ALDH1A1L3MBTL1

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