SCHEMBL6251479

SCHEMBL6251479

O=[N+]([O-])c1cc(Br)cc2c1OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
MAPT P10636 8/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MCL1 Q07820 1/20 0.49
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SRC P12931 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4174631 0.86 MAPT (0.49) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL7611209 0.79 TXNRD1 (0.50) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL17659043 0.79 MAPT (0.50) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL4625398 0.77 TXNRD1 (0.51) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL24750297 0.76 TXNRD1 (0.46) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL30330095 0.76 CYP1A2 (0.51) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL6252537 0.76 ALDH1A1 (0.47) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL30768338 0.76 TXNRD1 (0.46) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL31009373 0.76 TXNRD1 (0.46) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL30330528 0.76 TXNRD1 (0.50) TXNRD1TXNRD3TXNRD2MAPTMEN1

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 10 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-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
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