SCHEMBL9979685

SCHEMBL9979685

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.35
NTRK1 P04629 1/20 0.35
MAPK1 P28482 1/20 0.34
CHRM3 P20309 2/20 0.33
TACR1 P25103 1/20 0.33
NR3C1 P04150 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.31
STING1 Q86WV6 1/20 0.31

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
SCHEMBL9979542 0.89 LMNA (0.50) LMNAPOLBGAANTRK1CHRM3
SCHEMBL9979682 0.78 LMNA (0.49) LMNAPOLBGAANTRK1MAPK1
SCHEMBL9979686 0.76 LMNA (0.36) LMNAPOLBGAAMAPK1CHRM3
SCHEMBL13215978 0.76 LMNA (0.43) LMNAPOLBGAANTRK1MAPK1
SCHEMBL1085471 0.76 LMNA (0.57) LMNAPOLBNTRK1TACR1IRAK4
SCHEMBL14578389 0.75 LMNA (0.47) LMNAPOLBGAANTRK1CHRM3
SCHEMBL9979547 0.75 LMNA (0.47) LMNAPOLBGAANTRK1CHRM3
SCHEMBL4100026 0.75 NTRK1 (0.56) LMNAPOLBNTRK1CHRM3TACR1
SCHEMBL13936348 0.75 NTRK1 (0.59) LMNAPOLBNTRK1MAPK1CHRM3
SCHEMBL14266795 0.75 LMNA (0.54) LMNAPOLBGAANTRK1IRAK4

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