SCHEMBL6653318

SCHEMBL6653318

Cc1ccccc1C(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.75
MAPK12 P53778 10/20 0.75
MAPK11 Q15759 10/20 0.75
MAPK14 Q16539 10/20 0.75
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RORC P51449 2/20 0.47
HTR1E P28566 1/20 0.46
S1PR3 Q99500 1/20 0.46

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
SCHEMBL5173228 0.86 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL1907099 0.86 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL7032153 0.86 MEN1 (0.67) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL1907736 0.85 MAPK14 (0.87) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2855113 0.84 MAPK14 (0.71) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6655015 0.84 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL7198680 0.83 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2856752 0.83 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL6656897 0.83 MAPK14 (0.82) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL1907753 0.83 MAPK14 (0.82) MAPK13MAPK12MAPK11MAPK14KMT2A

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