SCHEMBL6654540

SCHEMBL6654540

N#Cc1cccc(C(=O)c2ccc(Nc3ccccc3N)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.68
MAPK12 P53778 8/20 0.68
MAPK11 Q15759 8/20 0.68
MAPK14 Q16539 8/20 0.68
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC3 O15379 1/20 0.49
VNN1 O95497 6/20 0.45
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
APP P05067 1/20 0.44
ALOX15 P16050 1/20 0.44
SNCA P37840 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL3978775 0.82 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL7868592 0.81 MAPK1 (0.52) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6658069 0.81 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL6652732 0.81 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL8440491 0.81 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL6655478 0.81 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL6653092 0.81 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL27497826 0.78 MAPK13 (0.91) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL27497518 0.78 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL890934 0.78 GAA (0.64) KDM4EALDH1A1GAAHDAC1MAPT

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