SCHEMBL6651601

SCHEMBL6651601

O=C(c1ccccc1)c1ccc(Nc2cc(O)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
MEN1 O00255 6/20 0.59
MAPK1 P28482 3/20 0.59
MAPT P10636 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
GAA P10253 2/20 0.59
PKM P14618 1/20 0.59
HCAR3 P49019 1/20 0.54
MAPK13 O15264 2/20 0.50
MAPK12 P53778 2/20 0.50
MAPK11 Q15759 2/20 0.50
MAPK14 Q16539 2/20 0.50
VCAM1 P19320 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CASP7 P55210 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
AKR1C3 P42330 3/20 0.48
AKR1C2 P52895 3/20 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
SCHEMBL5408865 0.87 MEN1 (0.67) KMT2AMEN1MAPK1MAPTTDP1
SCHEMBL3914644 0.85 MAPK1 (0.71) KMT2AMEN1MAPK1MAPTTDP1
SCHEMBL28296290 0.85 VCAM1 (0.58) KMT2AMEN1MAPK1MAPTTDP1
SCHEMBL27481715 0.81 MAPK1 (0.65) KMT2AMEN1MAPK1MAPTTDP1
SCHEMBL6655028 0.80 HCAR3 (0.84) KMT2AMEN1MAPTGAAHCAR3
SCHEMBL4281287 0.80 HCAR3 (0.79) KMT2AMEN1MAPK1MAPTTDP1
SCHEMBL2208981 0.79 MAPT (0.59) KMT2AMEN1MAPK1MAPTTDP1
SCHEMBL6651636 0.79 MAPK1 (0.57) KMT2AMEN1MAPK1MAPTTDP1
SCHEMBL6677786 0.78 MAPK1 (0.65) KMT2AMEN1MAPK1MAPTTDP1
SCHEMBL2329657 0.78 MEN1 (0.58) KMT2AMEN1MAPK1MAPTTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1188388-C Aminobenzophenones as inhibitors of interleukin and TNF LEO PHARM PROD LTD (DK) 2005-02-09 CN disclosed
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