SCHEMBL9939744

SCHEMBL9939744

COC(=O)c1nc(-c2ccccc2N)cc(N)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
CFTR P13569 1/20 0.43
NQO2 P16083 2/20 0.42
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 1/20 0.40
ABL1 P00519 1/20 0.39
PKM P14618 3/20 0.39
RCE1 Q9Y256 1/20 0.39
MAPT P10636 1/20 0.39
SLC6A2 P23975 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CYP1A2 P05177 1/20 0.38
TP53 P04637 1/20 0.37
NUDT1 P36639 1/20 0.36

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
SCHEMBL3330056 0.91 PRKDC (0.44) ALDH1A1HSD17B10NQO2SLC6A4SLC6A3
SCHEMBL2470030 0.90 PRKDC (0.44) ALDH1A1HSD17B10CFTRNQO2SLC6A4
SCHEMBL2463088 0.88 HSP90AA1 (0.53) ALDH1A1HSD17B10NQO2KDM4ESMN1; SMN2
SCHEMBL2468298 0.88 ADORA2A (0.44) ALDH1A1NQO2SLC6A4SLC6A3KDM4E
SCHEMBL9938790 0.85 ABL1 (0.51) ALDH1A1NQO2SLC6A4SLC6A3KDM4E
SCHEMBL9939442 0.85 ABL1 (0.48) ALDH1A1NQO2KDM4ESMN1; SMN2HPGD
SCHEMBL2468427 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10NQO2KDM4ESMN1; SMN2
SCHEMBL9939529 0.84 KDM4E (0.40) ALDH1A1HSD17B10NQO2KDM4ESMN1; SMN2
SCHEMBL9939346 0.84 KDM4E (0.48) ALDH1A1HSD17B10NQO2KDM4ESMN1; SMN2
SCHEMBL9939145 0.84 CYP46A1 (0.42) ALDH1A1HSD17B10NQO2KDM4ESMN1; 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