SCHEMBL9680199

SCHEMBL9680199

NNc1c(O)cc(S(=O)(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.58
CASP6 P55212 2/20 0.58
GAA P10253 1/20 0.58
PLCG1 P19174 1/20 0.58
DNMT1 P26358 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CA2 P00918 8/20 0.51
CA9 Q16790 7/20 0.51
CA12 O43570 6/20 0.51
CA1 P00915 6/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HSD17B10 Q99714 1/20 0.41
VCAM1 P19320 1/20 0.41
NT5E P21589 2/20 0.39
PTPN11 Q06124 2/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
CA4 P22748 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
SCHEMBL9354707 0.79 CASP6 (0.68) NSD2CASP6GAAPLCG1DNMT1
SCHEMBL51033 0.76 CA12 (0.73) NSD2CASP6GAAPLCG1DNMT1
SCHEMBL1055674 0.76 CA12 (0.73) NSD2CASP6GAAPLCG1DNMT1
SCHEMBL51034 0.76 CA12 (0.73) NSD2CASP6GAAPLCG1DNMT1
SCHEMBL10628283 0.76 CASP6 (0.79) NSD2CASP6GAAPLCG1DNMT1
SCHEMBL10626481 0.76 NSD2 (0.58) NSD2CASP6GAAPLCG1DNMT1
SCHEMBL19072197 0.75 GAA (0.62) NSD2CASP6GAAPLCG1DNMT1
SCHEMBL9680181 0.75 NT5E (0.44) NSD2CASP6GAAPLCG1DNMT1
SCHEMBL1055670 0.75 CA12 (0.71) NSD2CASP6GAAPLCG1DNMT1
SCHEMBL1055673 0.75 CA12 (0.71) NSD2CASP6GAAPLCG1DNMT1

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