SCHEMBL6654572

SCHEMBL6654572

Cc1cccc(C)c1C(=O)c1ccc(N)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
MAPK13 O15264 6/20 0.45
MAPK12 P53778 6/20 0.45
MAPK11 Q15759 6/20 0.45
MAPK14 Q16539 6/20 0.45
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
MAOA P21397 1/20 0.45
HTR2C P28335 1/20 0.45
CHRNA4 P43681 1/20 0.45
HTR3A P46098 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
GAA P10253 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL5172393 0.84 MAPK13 (0.61) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL6654067 0.82 MAPT (0.47) CYP3A4CHRM2CHRM3MAOAHTR2C
SCHEMBL7090488 0.80 JAK2 (0.53) CYP3A4CHRM2CHRM3MAOAHTR2C
SCHEMBL5173736 0.79 RORC (0.48) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL7035012 0.79 CYP3A4 (0.48) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL5174662 0.77 RAB9A (0.48) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL7194395 0.77 HSD17B10 (0.58) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL5174489 0.76 CYP3A4 (0.50) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL5173858 0.76 RORC (0.45) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL6652753 0.76 MAPK14 (0.80) MAPK13MAPK12MAPK11MAPK14GAA

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 4 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
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 disclosed
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 disclosed