SCHEMBL9938713

SCHEMBL9938713

COC(=O)c1nc(-c2cc(C#N)ccc2N)cc(N)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
PKM P14618 2/20 0.37
RCE1 Q9Y256 1/20 0.37
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCEH1 Q6PIU2 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
HPGD P15428 2/20 0.36
NQO2 P16083 2/20 0.36
ABL1 P00519 1/20 0.35
CASP1 P29466 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
MAP4K1 Q92918 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34

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
SCHEMBL9939181 0.91 NCEH1 (0.37) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL16075396 0.88 ALPL (0.39) NCEH1CYP11B1CYP11B2
SCHEMBL9939063 0.87 NQO2 (0.37) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL9939442 0.84 ABL1 (0.48) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL9939529 0.83 KDM4E (0.40) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL2464805 0.83 ATR (0.47)
SCHEMBL9939613 0.82 KDM4E (0.44) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL9939395 0.82 KDM4E (0.39) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL9939744 0.80 ALDH1A1 (0.43) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL9937674 0.80 HTT (0.42) KDM4EPKMRCE1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665710-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-11-27 EP disclosed
WO-2012080187-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 WO disclosed