SCHEMBL9680165

SCHEMBL9680165

NNc1c(O)cc(S(=O)(=O)O)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HSD17B10 Q99714 4/20 0.56
KDM4E B2RXH2 2/20 0.56
HPGD P15428 1/20 0.56
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NT5E P21589 3/20 0.40
CASP7 P55210 2/20 0.39
CASP1 P29466 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRMT1 Q99873 1/20 0.38
NSD2 O96028 2/20 0.37
DUSP3 P51452 2/20 0.37
PTPN5 P54829 2/20 0.37
CASP6 P55212 2/20 0.37
PTPN11 Q06124 2/20 0.37
S1PR3 Q99500 1/20 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
SCHEMBL9680181 0.77 NT5E (0.44) ALDH1A1HSD17B10KDM4EHPGDLCK
SCHEMBL9756727 0.77 HSD17B10 (0.65) ALDH1A1HSD17B10KDM4EHPGDLCK
SCHEMBL5193607 0.76 ALDH1A1 (0.59) ALDH1A1HSD17B10KDM4EHPGDLCK
SCHEMBL9756732 0.75 HSD17B10 (0.62) ALDH1A1HSD17B10KDM4EHPGDLCK
Sulfosalicylic SCHEMBL6717073 0.73 ALDH1A1 (0.96) ALDH1A1HSD17B10KDM4EHPGDMEN1
Sulfosalicylic SCHEMBL34766 0.73 ALDH1A1 (0.96) ALDH1A1HSD17B10KDM4EHPGDMEN1
Sulfosalicylic SCHEMBL29364125 0.73 ALDH1A1 (0.96) ALDH1A1HSD17B10KDM4EHPGDMEN1
Sulfosalicylic SCHEMBL29157636 0.72 ALDH1A1 (0.86) ALDH1A1HSD17B10KDM4EHPGDMEN1
Sulfosalicylic SCHEMBL25356542 0.72 ALDH1A1 (0.93) ALDH1A1HSD17B10KDM4EHPGDMEN1
Sulfosalicylic SCHEMBL16908545 0.72 ALDH1A1 (0.93) ALDH1A1HSD17B10KDM4EHPGDMEN1

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 8 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
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