SCHEMBL6653544

SCHEMBL6653544

COc1cc(C)c(C(=O)c2ccc(Nc3ccccc3N)c(Cl)c2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.53
MAPK13 O15264 8/20 0.53
MAPK12 P53778 8/20 0.53
MAPK11 Q15759 8/20 0.53
HDAC1 Q13547 6/20 0.46
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
BRD4 O60885 1/20 0.42
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
GFER P55789 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7196493 0.80 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11HDAC1
SCHEMBL27483181 0.79 MAPK13 (0.64) MAPK14MAPK13MAPK12MAPK11HDAC1
SCHEMBL6675436 0.74 KMT2A (0.41) MAPK14MAPK13MAPK12MAPK11HDAC1
SCHEMBL6439831 0.73 GAA (0.64) MAPK14MAPK13MAPK12MAPK11HDAC1
SCHEMBL6659642 0.72 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11HDAC1
Hydrochloric Acid SCHEMBL6438214 0.72 MAPT (0.62) MAPK14MAPK13MAPK12MAPK11HDAC1
SCHEMBL6653033 0.71 MAPK13 (0.76) MAPK14MAPK13MAPK12MAPK11HDAC1
SCHEMBL7200653 0.70 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11HDAC1
SCHEMBL6652857 0.69 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11HDAC3
SCHEMBL6654067 0.69 MAPT (0.47) GAAGFERMEN1ALDH1A1MAPT

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 6 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 claimed
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 claimed
EP-0966424-A1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1999-12-29 EP claimed
WO-1998032730-A1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-07-30 WO claimed
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