SCHEMBL6656632

SCHEMBL6656632

CC(C)(C)c1ccc(C(=O)c2ccc(Nc3ccccc3N)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.73
MAPK12 P53778 7/20 0.73
MAPK11 Q15759 7/20 0.73
MAPK14 Q16539 7/20 0.73
MAPT P10636 4/20 0.51
GAA P10253 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 3/20 0.50
TP53 P04637 1/20 0.50
APP P05067 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
SNCA P37840 1/20 0.50
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC3 O15379 1/20 0.49
SRD5A2 P31213 1/20 0.49
ALDH1A1 P00352 3/20 0.49

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
SCHEMBL15875871 0.88 MAPT (0.65) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL30323778 0.88 MAPT (0.65) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6652827 0.86 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL3978775 0.85 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6651517 0.81 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6658275 0.81 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL27497826 0.81 MAPK13 (0.91) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6654831 0.81 MAPK13 (0.85) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6652801 0.80 MAPT (0.75) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7366613 0.79 GAA (0.55) MAPTGAASMN1; SMN2HDAC1HDAC3

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