SCHEMBL9680130

SCHEMBL9680130

NNc1c(O)cc([N+](=O)[O-])cc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.46
GPR35 Q9HC97 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 4/20 0.37

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
SCHEMBL9355259 0.79 NT5E (0.60) NT5EGPR35MEN1KMT2AALDH1A1
SCHEMBL9680181 0.75 NT5E (0.44) NT5EALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL177959 0.73 GPR35 (0.61) NT5EGPR35MEN1KMT2AALDH1A1
SCHEMBL11692517 0.73 NT5E (0.58) NT5EMEN1KMT2AALDH1A1ALOX15
Water SCHEMBL28412877 0.72 GPR35 (0.59) NT5EGPR35MEN1KMT2AALDH1A1
SCHEMBL9680199 0.72 NSD2 (0.58) NT5EALDH1A1CYP1A2MAPTHPGD
SCHEMBL5446804 0.71 NT5E (0.59) NT5EGPR35ALDH1A1ALOX15HPGD
SCHEMBL3182919 0.71 NT5E (0.59) NT5EGPR35MEN1KMT2AALDH1A1
SCHEMBL29761998 0.71 NT5E (0.59) NT5EGPR35ALDH1A1ALOX15HPGD
SCHEMBL11648713 0.70 GPR35 (0.61) NT5EGPR35MEN1KMT2AALDH1A1

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