SCHEMBL9939657

SCHEMBL9939657

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2N)cc(N)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
PKM P14618 2/20 0.40
RCE1 Q9Y256 1/20 0.40
ALPL P05186 2/20 0.39
NQO2 P16083 4/20 0.39
GAA P10253 1/20 0.36
ABL1 P00519 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.34
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3326424 0.93 ALPL (0.43) KDM4EPKMRCE1ALPLNQO2
SCHEMBL30481033 0.93 ALPL (0.43) KDM4EPKMRCE1ALPLNQO2
SCHEMBL29442558 0.89 KDM4E (0.40) KDM4EPKMRCE1ALPLNQO2
SCHEMBL29423657 0.89 KDM4E (0.40) KDM4EPKMRCE1ALPLNQO2
SCHEMBL115368 0.89 KDM4E (0.40) KDM4EPKMRCE1ALPLNQO2
SCHEMBL3327659 0.88 KDM4E (0.39) KDM4EPKMRCE1ALPLNQO2
SCHEMBL16047078 0.86 KDM4E (0.39) KDM4EPKMRCE1ALPLNQO2
SCHEMBL16044725 0.85 KDM4E (0.37) KDM4EPKMRCE1ALPLNQO2
SCHEMBL16047255 0.85 ALPL (0.54) KDM4EPKMRCE1ALPLNQO2
SCHEMBL3324552 0.84 ALPL (0.44) KDM4EPKMRCE1ALPLNQO2

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