SCHEMBL9979686

SCHEMBL9979686

C=C(Nc1ccccc1-c1ccc(/C=N/OC)c(Cl)c1)c1cn(C)nc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
CHRM3 P20309 9/20 0.34
GAA P10253 1/20 0.33
HTT P42858 2/20 0.32
PRNP P04156 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR3C1 P04150 2/20 0.31
MAPK1 P28482 1/20 0.31
PGR P06401 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
SCHEMBL9979549 0.90 LMNA (0.46) LMNAPOLBCHRM3GAAHTT
SCHEMBL9979528 0.82 LMNA (0.44) LMNAPOLBCHRM3GAAHTT
SCHEMBL343328 0.81 NTRK1 (0.43) LMNAPOLBCHRM3GAAHTT
SCHEMBL343329 0.81 NTRK1 (0.43) LMNAPOLBCHRM3GAAHTT
SCHEMBL9979685 0.76 LMNA (0.39) LMNAPOLBCHRM3GAANR3C1
SCHEMBL14578389 0.76 LMNA (0.47) LMNAPOLBCHRM3GAAHTT
SCHEMBL9979547 0.76 LMNA (0.47) LMNAPOLBCHRM3GAAHTT
SCHEMBL14578312 0.75 LMNA (0.44) LMNAPOLBCHRM3GAAHTT
SCHEMBL2351992 0.74 LMNA (0.55) LMNAPOLBCHRM3MAPK1
SCHEMBL9979555 0.74 ATM (0.39) LMNAPOLBCHRM3GAAHTT

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