SCHEMBL6653092

SCHEMBL6653092

Nc1ccccc1Nc1ccc(C(=O)c2cccc(Cl)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.74
MAPK12 P53778 10/20 0.74
MAPK11 Q15759 10/20 0.74
MAPK14 Q16539 10/20 0.74
HDAC1 Q13547 3/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
PGR P06401 1/20 0.49
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 2/20 0.47
TP53 P04637 1/20 0.47
APP P05067 1/20 0.47
SNCA P37840 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC3 O15379 1/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL6655140 0.89 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL6658275 0.87 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL3978775 0.85 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL6655478 0.84 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL6658069 0.84 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL6652732 0.84 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL6659531 0.82 MAPK14 (0.77) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL27497826 0.81 MAPK13 (0.91) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL27497518 0.81 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL6658131 0.81 MAPK11 (0.71) MAPK13MAPK12MAPK11MAPK14HDAC1

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-0966424-B1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF LEO PHARMA AS (DK) 2004-06-23 EP disclosed
US-6313174-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGY, RHEUMATOID ARTHRITIS, SPONDYLOARTHRITIS, GOUT, ATHEROSCLEROSIS, CHRONIC INFLAMMATORY BOWEL DISEASE, PROLIFERATIVE AND INFLAMMATORY SKIN DISORDERS Leo Pharmaceutical Products Ltd.A/S/ (Løvens kemiske Fabrik Produktionsaktieselskab) (DK) 2001-11-06 US disclosed