SCHEMBL6652401

SCHEMBL6652401

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
MEN1 O00255 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
PKM P14618 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 1/20 0.56
CASP7 P55210 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TTR P02766 1/20 0.53
AKR1C3 P42330 3/20 0.53
AKR1C2 P52895 3/20 0.53
AKR1B1 P15121 2/20 0.53
AKR1C4 P17516 2/20 0.53
AKR1C1 Q04828 2/20 0.53
PTK2 Q05397 1/20 0.53
HCAR3 P49019 1/20 0.50
MYC P01106 1/20 0.49
MAX P61244 1/20 0.49

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
SCHEMBL29824482 0.91 MAPK1 (0.68) MAPK1TDP1MEN1GAAMAPT
SCHEMBL25782133 0.91 MAPK1 (0.68) MAPK1TDP1MEN1GAAMAPT
SCHEMBL6655634 0.89 AKR1B1 (0.56) MAPK1TDP1MEN1GAAMAPT
SCHEMBL6656847 0.87 MAPK1 (0.58) MAPK1TDP1MEN1GAAMAPT
SCHEMBL6657338 0.86 AKR1C3 (0.71) MAPK1TDP1MEN1GAAMAPT
SCHEMBL3914644 0.86 MAPK1 (0.71) MAPK1TDP1MEN1GAAMAPT
SCHEMBL6656393 0.85 MAPK1 (0.62) MAPK1TDP1MEN1GAAMAPT
SCHEMBL6652722 0.83 PHGDH (0.64) MAPK1TDP1MEN1GAAMAPT
SCHEMBL27481715 0.83 MAPK1 (0.65) MAPK1TDP1MEN1GAAMAPT
SCHEMBL6677786 0.83 MAPK1 (0.65) MAPK1TDP1MEN1GAAMAPT

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