SCHEMBL1755040

SCHEMBL1755040

Nc1cc2cc(S(=O)(=O)O)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HSD17B10 Q99714 4/20 0.41
CASP6 P55212 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TTR P02766 1/20 0.41
NT5E P21589 3/20 0.38
TDP1 Q9NUW8 3/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
NQO1 P15559 1/20 0.36
NSD2 O96028 2/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TSHR P16473 2/20 0.34

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
SCHEMBL7549756 0.98 ALDH1A1 (0.42) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL3503572 0.98 ALDH1A1 (0.42) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL1412987 0.85 TTR (0.46) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL29674878 0.85 IDO1 (0.47) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL343463 0.85 IDO1 (0.47) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL9790480 0.85 ALDH1A1 (0.47) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL3434025 0.84 NT5E (0.47) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL29624161 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL7651109 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL30639252 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104238267-B Color composition for color filter and colour filter 东洋油墨SC控股株式会社 2018-11-06 CN disclosed
EP-2441805-A1 Black disazo dyes, their preparation and their use ILFORD Imaging Switzerland GmbH (CH) 2012-04-18 EP disclosed
US-4282375-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1981-08-04 US disclosed
US-4265829-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1981-05-05 US disclosed