SCHEMBL7872081

SCHEMBL7872081

CC(C)c1cc(Cl)ccc1C(=O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 0.53
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
GAA P10253 2/20 0.48
PKM P14618 1/20 0.48
PHGDH O43175 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CASP7 P55210 1/20 0.46
EPAS1 Q99814 1/20 0.46
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
HCAR3 P49019 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL6656673 0.86 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6659923 0.85 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6652722 0.82 PHGDH (0.64) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6654262 0.81 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6653114 0.79 MEN1 (0.56) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6656377 0.79 MEN1 (0.58) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6654200 0.79 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL27483517 0.77 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6657882 0.77 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6655732 0.76 MAPK13 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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