SCHEMBL6652971

SCHEMBL6652971

O=C(c1ccc(Nc2ccccc2[N+](=O)[O-])cc1)c1ccccc1Br

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.64
MAPK12 P53778 4/20 0.64
MAPK11 Q15759 4/20 0.64
MAPK14 Q16539 4/20 0.64
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
MAPK1 P28482 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
MAPT P10636 2/20 0.58
GAA P10253 2/20 0.58
PKM P14618 1/20 0.58
ALDH1A1 P00352 2/20 0.56
CASP7 P55210 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HCAR3 P49019 1/20 0.50
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
LMNA P02545 2/20 0.45
HSP90AA1 P07900 1/20 0.45
ATM Q13315 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
SCHEMBL6656763 0.86 MEN1 (0.63) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL27498506 0.85 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL6654129 0.85 MAPT (0.58) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL6655732 0.85 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL6654200 0.85 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL3914644 0.84 MAPK1 (0.71) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL6652023 0.82 KMT2A (0.56) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL6653962 0.82 MAPK13 (0.66) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL6652829 0.81 KMT2A (0.61) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL6652722 0.80 PHGDH (0.64) MAPK13MAPK12MAPK11MAPK14MEN1

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