SCHEMBL10939746

SCHEMBL10939746

Nc1cc(N=Nc2cccc(OS(=O)(=O)O)c2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 6/20 0.43
▸ CA2 P00918 4/20 0.43
▸ CA9 Q16790 4/20 0.43
▸ CA12 O43570 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PTGS2 P35354 3/20 0.40
▸ CA1 P00915 2/20 0.40
▸ PTGS1 P23219 2/20 0.40
▸ STS P08842 2/20 0.39
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SENP3 Q9H4L4 2/20 0.38
▸ SENP2 Q9HC62 2/20 0.38
▸ SENP1 Q9P0U3 2/20 0.38
▸ SUMO2 P61956 1/20 0.38
▸ SUMO1 P63165 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL10448617 0.78 ALDH1A1 (0.53) CA2CA9CA12ALDH1A1HSD17B10
SCHEMBL10935481 0.78 ALDH1A1 (0.60) GLO1CA2CA9CA12ALDH1A1
SCHEMBL11216562 0.78 ALDH1A1 (0.60) GLO1CA2CA9CA12ALDH1A1
SCHEMBL30249676 0.74 CA1 (0.42) CA2CA9CA1STSGAA
SCHEMBL9172206 0.73 MEN1 (0.55) GLO1CA2CA9CA12ALDH1A1
SCHEMBL9172195 0.73 MEN1 (0.55) GLO1CA2CA9CA12ALDH1A1
SCHEMBL10707831 0.73 MEN1 (0.55) GLO1CA2CA9CA12ALDH1A1
SCHEMBL11219752 0.73 HSD17B10 (0.66) GLO1CA2CA9CA12ALDH1A1
SCHEMBL11578943 0.73 HSD17B10 (0.66) GLO1CA2CA9CA12ALDH1A1
SCHEMBL1243178 0.71 STS (0.51) CA2CA9CA12ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079858-B1 AZO DYESTUFFS, METAL COMPLEXES THEREOF, THEIR PREPARATION AND USE CIBA-GEIGY AG (CH) 1985-12-27 — — EP disclosed
EP-0079858-A1 Azo dyestuffs, metal complexes thereof, their preparation and use CIBA-GEIGY AG (CH) 1983-05-25 — — EP disclosed
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