SCHEMBL28529002

SCHEMBL28529002

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.68
GPR35 Q9HC97 2/20 0.68
TDP1 Q9NUW8 5/20 0.61
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
S100A4 P26447 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE10A Q9Y233 1/20 0.45
PTPRC P08575 1/20 0.45
ERN1 O75460 1/20 0.45
LMNA P02545 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL118464 0.97 TSHR (0.71) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL1926046 0.97 TSHR (0.71) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Fluoride SCHEMBL29099623 0.95 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Water SCHEMBL27294140 0.95 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL27735242 0.95 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL7157905 0.95 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL29669769 0.95 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL7157907 0.95 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL28144547 0.95 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL31474432 0.92 TSHR (0.65) TSHRGPR35TDP1ALDH1A1SMN1; SMN2

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
CN-212730778-U Aerating device and fire extinguisher applying same 杭州金岚消防科技有限公司 2021-03-19 CN disclosed