SCHEMBL6677786

SCHEMBL6677786

O=C(c1ccc(Nc2ccccc2[N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
ALDH1A1 P00352 2/20 0.65
CASP7 P55210 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
KMT2A Q03164 4/20 0.62
MAPT P10636 3/20 0.62
MEN1 O00255 3/20 0.62
GAA P10253 2/20 0.62
PKM P14618 1/20 0.62
POLB P06746 2/20 0.57
HCAR3 P49019 1/20 0.57
MAPK13 O15264 4/20 0.51
MAPK12 P53778 4/20 0.51
MAPK11 Q15759 4/20 0.51
MAPK14 Q16539 4/20 0.51
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL27481715 0.97 MAPK1 (0.65) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL3914644 0.93 MAPK1 (0.71) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL27482796 0.91 MAPK1 (0.57) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL6651636 0.91 MAPK1 (0.57) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL497457 0.90 TDP1 (0.80) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL11507400 0.87 ALDH1A1 (0.79) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL6652722 0.86 PHGDH (0.64) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL6656393 0.86 MAPK1 (0.62) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL6653962 0.86 MAPK13 (0.66) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL16634580 0.85 TDP1 (0.73) MAPK1TDP1ALDH1A1CASP7L3MBTL1

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