SCHEMBL6652829

SCHEMBL6652829

COc1ccccc1C(=O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
GAA P10253 2/20 0.61
MAPT P10636 6/20 0.55
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 3/20 0.54
MAPK1 P28482 2/20 0.54
PKM P14618 1/20 0.54
CASP7 P55210 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
HTT P42858 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
RAB9A P51151 1/20 0.49
AR P10275 1/20 0.48

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
SCHEMBL6653348 0.91 KMT2A (0.60) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL6653632 0.87 MAPT (0.51) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL27496497 0.86 MAPK13 (0.54) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL1907238 0.85 MAPT (0.58) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL6653475 0.84 MAPT (0.66) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL6655732 0.84 MAPK13 (0.69) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL6654042 0.84 ALDH1A1 (0.59) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL6653205 0.83 MAPK13 (0.75) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL7196933 0.83 MAPK13 (0.57) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL6659240 0.83 MEN1 (0.53) KMT2AMEN1GAAMAPTALDH1A1

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 4 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
EP-0966424-A1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1999-12-29 EP disclosed
WO-1998032730-A1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-07-30 WO disclosed