SCHEMBL9680181

SCHEMBL9680181

NNc1c(O)cc(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.44
HSD17B10 Q99714 5/20 0.43
ALDH1A1 P00352 4/20 0.43
CASP6 P55212 5/20 0.40
NSD2 O96028 4/20 0.40
DUSP3 P51452 2/20 0.40
PTPN5 P54829 2/20 0.40
PTPN11 Q06124 2/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP7 P55210 1/20 0.38
PRMT1 Q99873 2/20 0.37
ING2 Q9H160 1/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LCK P06239 1/20 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
SCHEMBL9680165 0.77 ALDH1A1 (0.56) NT5EHSD17B10ALDH1A1CASP6NSD2
SCHEMBL9680130 0.75 NT5E (0.46) NT5EHSD17B10ALDH1A1CASP6NSD2
SCHEMBL9680199 0.75 NSD2 (0.58) NT5EHSD17B10ALDH1A1CASP6NSD2
SCHEMBL9682578 0.75 ALDH1A1 (0.52) NT5EHSD17B10ALDH1A1CASP6NSD2
SCHEMBL11514622 0.74 ING2 (0.41) NT5EHSD17B10ALDH1A1CASP6NSD2
SCHEMBL29367149 0.74 ING2 (0.48) NT5EHSD17B10ALDH1A1CASP6NSD2
SCHEMBL30057851 0.74 ING2 (0.48) NT5EHSD17B10ALDH1A1CASP6NSD2
SCHEMBL772208 0.74 ING2 (0.48) NT5EHSD17B10ALDH1A1CASP6NSD2
SCHEMBL9242875 0.74 ING2 (0.48) NT5EHSD17B10ALDH1A1CASP6NSD2
SCHEMBL30999 0.74 ING2 (0.48) NT5EHSD17B10ALDH1A1CASP6NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128455-A WATER-SOLUBLE FIBER-REACTIVE DYES, CONTAINING AN AMINO-SUBSTITUTED 5-TRIAZINE RING WITH A FIBER-REACTIVE GROUP OF THE VINYLSULFONE SERIES HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-07 US disclosed
EP-0374911-A1 Water-soluble, fibre-reactive dyes, methods for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-27 EP disclosed
US-4912244-A Vinylsulfonylalkylamino-alkylamines as intermediates for the preparation of fiber-reactive dyes CIBA-GEIGY CORPORATION (US) 1990-03-27 US disclosed
US-4782140-A Triazinyl reactive dyes containing additional fiber reactive groups bound through the sulfonylalkylaminoalkylamino bridge CIBA-GIEGY CORPORATION (US) 1988-11-01 US disclosed
EP-0144766-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-10-05 EP disclosed
US-4754023-A Reactive dyestuffs comprising a triazine moiety and a vinylsulfonyl moiety both being linked by a substituted alkylene bridge member CIBA-GEIGY CORPORATION (US) 1988-06-28 US disclosed
EP-0159292-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-01-07 EP disclosed
EP-0159292-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed
EP-0144766-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed