SCHEMBL6653633

SCHEMBL6653633

COc1cc(C)c(C(=O)c2ccc(Nc3ccccc3[N+](=O)[O-])cc2Cl)c(C)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.71
MAPK12 P53778 9/20 0.71
MAPK11 Q15759 9/20 0.71
MAPK14 Q16539 9/20 0.71
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 4/20 0.45
AKR1B10 O60218 2/20 0.45
AKR1B1 P15121 2/20 0.45
AKR1C4 P17516 2/20 0.45
AKR1C1 Q04828 2/20 0.45
MEN1 O00255 3/20 0.44
GAA P10253 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 4/20 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
SCHEMBL7194247 0.92 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6655495 0.89 MAPK14 (0.82) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL7193817 0.88 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL7196493 0.83 MAPK14 (0.69) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL6655015 0.83 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL6653205 0.82 MAPK13 (0.75) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL7193764 0.81 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL7207479 0.81 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL7079569 0.81 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL7192890 0.81 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14AKR1C3

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