SCHEMBL9979542

SCHEMBL9979542

C=Cc1ccc(-c2ccccc2NC(=O)c2cn(C)nc2C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
NTRK1 P04629 4/20 0.45
ATM Q13315 1/20 0.42
IRAK4 Q9NWZ3 3/20 0.41
STING1 Q86WV6 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
WDR5 P61964 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
CHRM3 P20309 1/20 0.38

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
SCHEMBL9979682 0.89 LMNA (0.49) LMNAPOLBNTRK1ATMIRAK4
SCHEMBL9979685 0.89 LMNA (0.39) LMNAPOLBNTRK1ATMIRAK4
SCHEMBL1085471 0.88 LMNA (0.57) LMNAPOLBNTRK1ATMIRAK4
SCHEMBL4100026 0.87 NTRK1 (0.56) LMNAPOLBNTRK1ATMSTING1
SCHEMBL14266795 0.87 LMNA (0.54) LMNAPOLBNTRK1ATMIRAK4
SCHEMBL13936348 0.87 NTRK1 (0.59) LMNAPOLBNTRK1ATMSTING1
SCHEMBL14578046 0.86 LMNA (0.68) LMNAPOLBNTRK1ATMSTING1
SCHEMBL14578389 0.86 LMNA (0.47) LMNAPOLBNTRK1ATMIRAK4
SCHEMBL9979547 0.86 LMNA (0.47) LMNAPOLBNTRK1ATMIRAK4
SCHEMBL13215978 0.86 LMNA (0.43) LMNAPOLBNTRK1ATMIRAK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305292-B1 BIPHENYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2012-06-20 EP disclosed