SCHEMBL1648359

SCHEMBL1648359

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
CES1 P23141 2/20 0.46
HSD11B1 P28845 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
CES2 O00748 1/20 0.44
SRD5A2 P31213 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
ACHE P22303 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NOS1 P29475 1/20 0.43

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
SCHEMBL10886554 0.86 TSHR (0.52) TDP1TSHRMAPK1ALDH1A1POLB
SCHEMBL7912766 0.81 TDP1 (0.52) TDP1TSHRMAPK1ALDH1A1POLB
SCHEMBL3530264 0.81 TDP1 (0.52) TDP1TSHRMAPK1ALDH1A1POLB
SCHEMBL1646651 0.81 TDP1 (0.52) TDP1TSHRMAPK1ALDH1A1POLB
SCHEMBL7717482 0.81 POLB (0.61) TSHRMAPK1ALDH1A1POLBCES1
SCHEMBL7451869 0.80 PTPRC (0.56) TSHRALDH1A1POLBCES1CES2
SCHEMBL4060805 0.80 HSD11B1 (0.50) TDP1TSHRMAPK1ALDH1A1POLB
SCHEMBL5684191 0.79 HSD11B1 (0.53) TSHRMAPK1ALDH1A1POLBCES1
SCHEMBL3154297 0.79 ALDH1A1 (0.52) TDP1TSHRMAPK1ALDH1A1POLB
SCHEMBL12784610 0.79 ALDH1A1 (0.61) ALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed
CN-1094035-A Carboxylic acid derivative contains pharmaceutical composition of these compounds and preparation method thereof THOMAE GMBH DR K (DE) 1994-10-26 CN disclosed