SCHEMBL6656763

SCHEMBL6656763

O=C(c1ccc(Nc2ccccc2[N+](=O)[O-])cc1)c1ccccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
TDP1 Q9NUW8 3/20 0.63
GAA P10253 3/20 0.63
MAPK1 P28482 2/20 0.63
MAPT P10636 1/20 0.63
PKM P14618 1/20 0.63
KCNMA1 Q12791 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CASP7 P55210 1/20 0.57
MAPK13 O15264 4/20 0.52
MAPK12 P53778 4/20 0.52
MAPK11 Q15759 4/20 0.52
MAPK14 Q16539 4/20 0.52
HCAR3 P49019 1/20 0.51
LIG1 P18858 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
PHGDH O43175 1/20 0.45

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
SCHEMBL6654200 0.86 MAPK13 (0.63) MEN1KMT2ATDP1GAAMAPK1
SCHEMBL6652971 0.86 MAPK13 (0.64) MEN1KMT2ATDP1GAAMAPK1
SCHEMBL6654129 0.86 MAPT (0.58) MEN1KMT2ATDP1GAAMAPK1
SCHEMBL6655732 0.86 MAPK13 (0.69) MEN1KMT2ATDP1GAAMAPK1
SCHEMBL3914644 0.85 MAPK1 (0.71) MEN1KMT2ATDP1GAAMAPK1
SCHEMBL8521365 0.85 MEN1 (0.57) MEN1KMT2ATDP1GAAMAPK1
SCHEMBL6652023 0.84 KMT2A (0.56) MEN1KMT2ATDP1GAAMAPK1
SCHEMBL6653962 0.84 MAPK13 (0.66) MEN1KMT2ATDP1GAAMAPK1
SCHEMBL1905196 0.83 LIG1 (0.61) GAAMAPK13MAPK12MAPK11MAPK14
SCHEMBL6652829 0.83 KMT2A (0.61) MEN1KMT2ATDP1GAAMAPK1

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