SCHEMBL6615528

SCHEMBL6615528

COc1cc(Cl)ccc1-c1cc(NC(C)=O)c(Cl)c(C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 4/20 0.46
ADORA3 P0DMS8 3/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MAPK1 P28482 2/20 0.43
PIK3CA P42336 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
CTSA P10619 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 2/20 0.40
SLC9A1 P19634 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.39
GRIK1 P39086 1/20 0.39

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
SCHEMBL2469969 0.91 ALDH1A1 (0.46) HSD17B10KDM4EALDH1A1ADORA3HSP90AA1
SCHEMBL15065891 0.88 KDM4E (0.44) HSD17B10KDM4EALDH1A1ADORA3MAPK1
SCHEMBL6613757 0.83 ADORA3 (0.58) KDM4EALDH1A1ADORA3MEN1KMT2A
SCHEMBL2469712 0.81 HSP90AA1 (0.54) KDM4EALDH1A1HSP90AA1HSP90AB1MAPK1
SCHEMBL3859281 0.81 HSD17B10 (0.38) HSD17B10KDM4EALDH1A1ADORA3
SCHEMBL15063499 0.81 S1PR4 (0.40) HSD17B10KDM4EALDH1A1ADORA3MAPK1
SCHEMBL17797252 0.80 PYGL (0.39) HSD17B10KDM4EALDH1A1ADORA3KMT2A
SCHEMBL1919622 0.80 ALDH1A1 (0.38) HSD17B10KDM4EALDH1A1ADORA3TSHR
SCHEMBL3836713 0.79 ALDH1A1 (0.38) HSD17B10KDM4EALDH1A1ADORA3MEN1
SCHEMBL3842956 0.79 ADORA3 (0.36) HSD17B10KDM4EALDH1A1ADORA3

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-1414814-A1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2004-05-06 EP disclosed
WO-2003011853-A1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2003-02-13 WO disclosed