SCHEMBL9939613

SCHEMBL9939613

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
PKM P14618 3/20 0.44
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
RCE1 Q9Y256 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
NOS2 P35228 2/20 0.38
PLA2G2A P14555 2/20 0.38
NQO2 P16083 1/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL2466437 0.90 ADORA3 (0.50) KDM4EPKMHSP90AA1HSP90AB1CYP2D6
SCHEMBL9939645 0.90 KDM4E (0.44) KDM4EPKMHSP90AA1HSP90AB1CYP1A2
SCHEMBL27922410 0.88 JAK2 (0.39) KDM4EPKMCYP1A2CYP2C9RCE1
SCHEMBL9939442 0.87 ABL1 (0.48) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL9939529 0.86 KDM4E (0.40) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL9939395 0.85 KDM4E (0.39) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL2467009 0.85 KDM4E (0.52) KDM4EPKMCYP1A2CYP2D6CYP2C9
SCHEMBL9939744 0.83 ALDH1A1 (0.43) KDM4EPKMHSP90AA1HSP90AB1CYP1A2
SCHEMBL9937674 0.83 HTT (0.42) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL9939089 0.82 CFTR (0.49) 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