SCHEMBL11323992

SCHEMBL11323992

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.58
TSHR P16473 3/20 0.53
TDP1 Q9NUW8 4/20 0.47
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLAU P00749 1/20 0.41
ERN1 O75460 1/20 0.41
S100A4 P26447 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.39
APEX1 P27695 1/20 0.38
ACHE P22303 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL2788910 0.81 TSHR (0.53) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL2056581 0.79 TDP1 (0.64) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL118464 0.79 TSHR (0.71) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL1926046 0.79 TSHR (0.71) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL28056012 0.78 TSHR (0.55) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
Fluoride SCHEMBL29099623 0.77 TSHR (0.68) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL28529002 0.77 TSHR (0.68) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL7157905 0.77 TSHR (0.68) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL7157907 0.77 TSHR (0.68) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL29669769 0.77 TSHR (0.68) GPR35TSHRTDP1ALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4246052-A REDUCED AND DIAZOTIZED TO FORM THE IGNITING AGENTS FOR PRIMERS AND EXPLOSIVES BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US claimed
US-4246052-A REDUCED AND DIAZOTIZED TO FORM THE IGNITING AGENTS FOR PRIMERS AND EXPLOSIVES BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed
US-4246052-A REDUCED AND DIAZOTIZED TO FORM THE IGNITING AGENTS FOR PRIMERS AND EXPLOSIVES BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed