SCHEMBL6656673

SCHEMBL6656673

O=C(c1ccc(Nc2ccccc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.64
MAPK12 P53778 2/20 0.64
MAPK11 Q15759 2/20 0.64
MAPK14 Q16539 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 4/20 0.53
MAPK1 P28482 2/20 0.53
GAA P10253 2/20 0.53
PKM P14618 1/20 0.53
PHGDH O43175 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CASP7 P55210 1/20 0.51
EPAS1 Q99814 1/20 0.50
HCAR3 P49019 1/20 0.49
SRD5A2 P31213 1/20 0.48
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL6654262 0.93 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14L3MBTL1
SCHEMBL6657882 0.88 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14L3MBTL1
SCHEMBL6654200 0.88 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14L3MBTL1
SCHEMBL6652722 0.86 PHGDH (0.64) MAPK13MAPK12MAPK11MAPK14L3MBTL1
SCHEMBL7872081 0.86 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14L3MBTL1
SCHEMBL6653114 0.83 MEN1 (0.56) MAPK13MAPK12MAPK11MAPK14L3MBTL1
SCHEMBL6659923 0.83 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14L3MBTL1
SCHEMBL6656377 0.83 MEN1 (0.58) MAPK13MAPK12MAPK11MAPK14L3MBTL1
SCHEMBL6659531 0.81 MAPK14 (0.77) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL3914644 0.80 MAPK1 (0.71) MAPK13MAPK12MAPK11MAPK14L3MBTL1

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