SCHEMBL8325905

SCHEMBL8325905

COC(=O)c1nccc(N)c1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
GAA P10253 3/20 0.45
GLA P06280 2/20 0.45
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 4/20 0.42
CFTR P13569 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ROCK1 Q13464 2/20 0.40
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 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
SCHEMBL27610033 0.84 ALDH1A1 (0.46) L3MBTL1KDM4EALDH1A1GAAGLA
SCHEMBL31184792 0.82 KDM4E (0.45) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL31184803 0.82 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1GAAGLA
SCHEMBL22207732 0.82 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1GAAGLA
SCHEMBL16649076 0.81 KDM4E (0.44) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL31145860 0.81 KDM4E (0.44) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL27562816 0.81 L3MBTL1 (0.45) L3MBTL1KDM4EALDH1A1GAAGLA
SCHEMBL1178762 0.81 ALDH1A1 (0.44) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL29274165 0.81 ALDH1A1 (0.44) L3MBTL1KDM4EALDH1A1GAAGLA
SCHEMBL23857227 0.80 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1NPSR1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663399-B1 Pyridine-2,3-dicarboxylic imides, process for their preparation and their use to control the growth of unwanted plants BASF AG (DE) 1998-06-10 EP claimed
US-5959116-A 5-NITRO PYRIDINE-2,3-DICARBOXYLIC ACID ESTER CHEMICAL INTERMEDIATES MADE BY REACTING THE N-OXIDES OF PYRIDINE-2,3-DICARBOXYLIC ACID ESTERS WITH NITRIC ACID OR SODIUM NITRATE, THEN REMOVING THE N-OXIDE GROUP BASF AKTIENGESELLSCHAFT (DE) 1999-09-28 US disclosed
US-5571774-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed