SCHEMBL6652023

SCHEMBL6652023

CCc1ccccc1C(=O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
GAA P10253 3/20 0.56
MEN1 O00255 3/20 0.56
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPT P10636 2/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CASP7 P55210 1/20 0.54
MAPK13 O15264 2/20 0.52
MAPK12 P53778 2/20 0.52
MAPK11 Q15759 2/20 0.52
MAPK14 Q16539 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 1/20 0.50
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
HCAR3 P49019 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
SCHEMBL8443036 0.86 MAPK13 (0.55) KMT2AGAAMEN1MAPK1TDP1
SCHEMBL6655732 0.85 MAPK13 (0.69) KMT2AGAAMEN1MAPK1TDP1
SCHEMBL6657311 0.84 MAPT (0.52) KMT2AGAAMEN1MAPK1TDP1
SCHEMBL6656763 0.84 MEN1 (0.63) KMT2AGAAMEN1MAPK1TDP1
SCHEMBL6654129 0.82 MAPT (0.58) KMT2AGAAMEN1MAPK1TDP1
SCHEMBL6654200 0.82 MAPK13 (0.63) KMT2AGAAMEN1MAPK1TDP1
SCHEMBL6652971 0.82 MAPK13 (0.64) KMT2AGAAMEN1MAPK1TDP1
SCHEMBL6652829 0.82 KMT2A (0.61) KMT2AGAAMEN1MAPK1TDP1
SCHEMBL3914644 0.82 MAPK1 (0.71) KMT2AGAAMEN1MAPK1TDP1
SCHEMBL6653962 0.81 MAPK13 (0.66) KMT2AGAAMEN1MAPK1TDP1

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