SCHEMBL6658069

SCHEMBL6658069

Nc1ccccc1Nc1ccc(C(=O)c2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.78
MAPK12 P53778 8/20 0.78
MAPK11 Q15759 8/20 0.78
MAPK14 Q16539 8/20 0.78
HDAC1 Q13547 5/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HDAC3 O15379 2/20 0.50
HDAC2 Q92769 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL27497518 0.97 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL27497826 0.90 MAPK13 (0.91) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL6654831 0.90 MAPK13 (0.85) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL3978775 0.89 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL6655478 0.84 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL6652732 0.84 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL6653092 0.84 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL6658131 0.81 MAPK11 (0.71) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL6654540 0.81 MAPK13 (0.68) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL6654792 0.81 MAPK13 (0.68) 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