SCHEMBL9680216

SCHEMBL9680216

O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1NNO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 1/20 0.51
GAA P10253 2/20 0.47
NSD2 O96028 1/20 0.47
PLCG1 P19174 1/20 0.47
DNMT1 P26358 1/20 0.47
CASP6 P55212 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GFER P55789 1/20 0.46
MAPT P10636 4/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 1/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 1/20 0.43
ALDH3A1 P30838 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL10502186 0.82 HCAR3 (0.58) ALDH1A1TDP1HPGDGAANSD2
SCHEMBL10595984 0.78 LMNA (0.51) ALDH1A1TDP1HPGDGAANSD2
SCHEMBL7591545 0.78 MAPT (0.61) ALDH1A1TDP1HPGDGAACASP6
SCHEMBL29516580 0.77 PKM (0.67) ALDH1A1TDP1MAPTPOLBLMNA
SCHEMBL3044797 0.77 ALDH1A1 (0.58) ALDH1A1TDP1HPGDGAANSD2
SCHEMBL9817053 0.77 MAPT (0.74) ALDH1A1TDP1GAAL3MBTL1MAPT
SCHEMBL197978 0.77 PKM (0.67) ALDH1A1TDP1MAPTPOLBLMNA
SCHEMBL392626 0.77 HPGD (0.62) ALDH1A1TDP1HPGDGAANSD2
SCHEMBL9680192 0.76 TIMP3 (0.50) ALDH1A1TDP1HPGDGAANSD2
SCHEMBL11226639 0.76 MAPT (0.60) ALDH1A1TDP1HPGDL3MBTL1MAPT

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