SCHEMBL6653205

SCHEMBL6653205

COc1ccccc1C(=O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.75
MAPK12 P53778 9/20 0.75
MAPK11 Q15759 9/20 0.75
MAPK14 Q16539 9/20 0.75
LMNA P02545 2/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GAA P10253 2/20 0.53
HTT P42858 2/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
RORC P51449 1/20 0.46
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45

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
SCHEMBL7192890 0.90 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL7193817 0.88 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL7196933 0.87 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL6655015 0.86 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL7192087 0.84 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL7194247 0.84 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL6654383 0.84 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL7196619 0.84 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL6652829 0.83 KMT2A (0.61) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL7544632 0.83 ALDH1A1 (0.60) MAPK13MAPK12MAPK11MAPK14LMNA

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