SCHEMBL9680143

SCHEMBL9680143

O=[N+]([O-])c1ccc(NNO)c(S(=O)(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.53
MAPT P10636 8/20 0.46
ALDH1A1 P00352 8/20 0.46
GAA P10253 6/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
LMNA P02545 5/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
MMP13 P45452 2/20 0.44
HPGD P15428 3/20 0.43
POLB P06746 2/20 0.43
ALOX12 P18054 2/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL11350087 0.83 MAPT (0.56) NT5EMAPTALDH1A1MEN1KMT2A
SCHEMBL11692517 0.83 NT5E (0.58) NT5EMAPTALDH1A1GAAMEN1
SCHEMBL9636147 0.79 ALDH1A1 (0.47) NT5EMAPTALDH1A1MEN1KMT2A
SCHEMBL10502068 0.79 NT5E (0.51) NT5EMAPTALDH1A1GAAMEN1
SCHEMBL9680192 0.78 TIMP3 (0.50) NT5EMAPTALDH1A1GAAMEN1
SCHEMBL10851653 0.78 KMT2A (0.60) NT5EMAPTALDH1A1GAAMEN1
SCHEMBL7820869 0.78 NT5E (0.67) NT5EMAPTALDH1A1GAAMEN1
SCHEMBL1717760 0.77 NT5E (0.47) NT5EMAPTALDH1A1GAAMEN1
SCHEMBL11667865 0.76 PTPRC (0.55) NT5EMAPTALDH1A1MEN1KMT2A
SCHEMBL5682018 0.76 NT5E (0.61) NT5EMAPTALDH1A1GAAMEN1

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