SCHEMBL6253306

SCHEMBL6253306

Brc1ccc2c(c1)CC=NO2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.39
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
PNMT P11086 2/20 0.32
ASIC3 Q9UHC3 1/20 0.32
PBRM1 Q86U86 1/20 0.30
METAP1 P53582 1/20 0.30

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
SCHEMBL1246502 0.85 AHR (0.39) AHRLMNAMAPTHTTBLM
SCHEMBL18264371 0.77 AHR (0.39) AHRMAPTHTTPNMTMETAP1
SCHEMBL3700876 0.73 PNMT (0.38) PNMT
SCHEMBL3712693 0.72 TDP1 (0.46) MAPTBLM
SCHEMBL9936698 0.70 CA2 (0.45) LMNAMAPTPNMT
SCHEMBL8906074 0.69 AHR (0.43) AHRLMNAMAPTHTTBLM
Hydrochloric Acid SCHEMBL8707066 0.69 MAOA (0.38)
Methane SCHEMBL28285761 0.69 MAOA (0.38)
SCHEMBL1848749 0.67 LMNA (0.41) AHRLMNAMAPTHTTBLM
SCHEMBL7070526 0.65 TRPA1 (0.40) PNMTASIC3METAP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171127-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT INC (US) 2005-09-14 EP disclosed
US-6489349-B1 TREATING AN AUTOIMMUNE DISORDER WITH AN ALKYLAMINE SUBSTITUTED PYRIDINE TARGACEPT, INC. 2002-12-03 US disclosed
EP-1214288-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept Inc. (US) 2002-06-19 EP disclosed
EP-1171127-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION Targacept, Inc. (US) 2002-01-16 EP disclosed
US-6337351-B1 AROMATIC OLEFIN AMINES TARGACEPT, INC. 2002-01-08 US disclosed
US-6310102-B1 OXY OR HYDROXY OR NITRO SUBSTITUTED PHENYLALKYLENE AMINE DERIVATIVE USED FOR TREATING A CENTRAL NERVOUS SYSTEM DISORDER CHARACTERIZED BY AN ALTERATION IN NORMAL NEUROTRANSMITTER RELEASE TARGACEPT, INC. 2001-10-30 US disclosed
US-6262124-B1 FOR ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS, FOR EXAMPLE, AS AGONISTS OF SPECIFIC NICOTINIC RECEPTOR SUBTYPES; FOR THERAPY OF DYSFUNCTION OF THE CENTRAL AND AUTONOMIC NERVOUS SYSTEMS TARGACEPT, INC., A CORPORATION OF DELAWARE 2001-07-17 US disclosed
WO-2001017943-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2001-03-15 WO disclosed
US-6166048-A Pharmaceutical compositions for inhibition of cytokine production and secretion TARGACEPT, INC. (US) 2000-12-26 US disclosed
WO-2000062767-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT, INC. (US) 2000-10-26 WO disclosed
EP-1042274-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-10-11 EP disclosed
WO-2000023418-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-04-27 WO disclosed