SCHEMBL8717819

SCHEMBL8717819

Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-].O=[N+]([O-])c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.96

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.96
TDP1 Q9NUW8 5/20 0.72
ALDH1A1 P00352 5/20 0.72
SMN1; SMN2 Q16637 1/20 0.64
HSD17B10 Q99714 1/20 0.63
GPR35 Q9HC97 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
KAT2B Q92831 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
S100A4 P26447 1/20 0.42

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
SCHEMBL1101208 0.98 TSHR (1.00) TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL146895 0.98 TSHR (1.00) TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL29359563 0.98 TSHR (1.00) TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10
Magnesium SCHEMBL11696142 0.96 TSHR (0.96) TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL31188803 0.96 TSHR (0.96) TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11696134 0.96 TSHR (0.96) TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL28589645 0.96 TSHR (0.96) TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10
Fluoride SCHEMBL28054250 0.96 TSHR (0.96) TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2219655 0.94 TSHR (0.92) TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10
O-Xylene SCHEMBL28588420 0.94 TSHR (0.92) TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5762808-A Destruction of electron affinic contaminants during water treatment using free radical processes RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-06-09 US claimed