SCHEMBL9306981

SCHEMBL9306981

CCCCCNc1ccc2cc(S(=O)(=O)O)cc(O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 4/20 0.57
NSD2 O96028 3/20 0.57
NT5E P21589 2/20 0.57
DUSP3 P51452 2/20 0.57
PTPN5 P54829 2/20 0.57
PTPN11 Q06124 2/20 0.57
CASP7 P55210 1/20 0.57
PRMT1 Q99873 3/20 0.48
CTDSP1 Q9GZU7 1/20 0.41
SNCA P37840 2/20 0.41
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABL1 P00519 1/20 0.40
EPHX1 P07099 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ENPP2 Q13822 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
SCHEMBL10893977 0.97 CASP6 (0.57) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL10891672 0.92 CASP6 (0.60) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL11212315 0.91 PRMT1 (0.59) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL9338716 0.88 PRMT1 (0.59) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL6560639 0.87 CASP6 (0.63) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL8377060 0.85 CASP6 (0.61) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL4632424 0.85 SNCA (0.52) SNCAABL1EPHX1CA1CA2
SCHEMBL10580903 0.84 NT5E (0.64) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL9342332 0.84 CASP6 (0.60) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL8378991 0.84 NSD2 (0.56) CASP6NSD2NT5EDUSP3PTPN5

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-5283325-A Anionic dyes for polyamides, oxide layers on aluminum and its alloys SANDOZ LTD. (CH) 1994-02-01 US disclosed
EP-0079563-B1 WATER SOLUBLE 1:2 METAL COMPLEX AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-08 EP disclosed
EP-0079563-A2 Water soluble 1:2 metal complex azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-25 EP disclosed