SCHEMBL6674558

SCHEMBL6674558

C=CCc1cccc(C(=O)c2ccc(Nc3ccccc3[N+](=O)[O-])cc2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 1/20 0.45
CASP7 P55210 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HCAR3 P49019 1/20 0.44
MAPK13 O15264 3/20 0.43
MAPK12 P53778 3/20 0.43
MAPK11 Q15759 3/20 0.43
MAPK14 Q16539 3/20 0.43
PLK1 P53350 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
KCNMA1 Q12791 1/20 0.40
PTK2 Q05397 1/20 0.39

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
SCHEMBL6652056 0.83 MAPK13 (0.57) KMT2AMEN1MAPK1TDP1GAA
SCHEMBL6652023 0.80 KMT2A (0.56) KMT2AMEN1MAPK1TDP1GAA
SCHEMBL6656763 0.79 MEN1 (0.63) KMT2AMEN1MAPK1TDP1GAA
SCHEMBL6652902 0.78 MAPT (0.48) KMT2AMEN1MAPK1TDP1GAA
SCHEMBL508302 0.76 GABRA1 (0.53) KMT2AMEN1MAPK1GAAMAPT
SCHEMBL6655732 0.76 MAPK13 (0.69) KMT2AMEN1MAPK1TDP1GAA
SCHEMBL6652971 0.76 MAPK13 (0.64) KMT2AMEN1MAPK1TDP1GAA
SCHEMBL6654200 0.76 MAPK13 (0.63) KMT2AMEN1MAPK1TDP1GAA
SCHEMBL6654129 0.76 MAPT (0.58) KMT2AMEN1MAPK1TDP1GAA
SCHEMBL6657311 0.75 MAPT (0.52) KMT2AMEN1MAPK1TDP1GAA

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