SCHEMBL9680192

SCHEMBL9680192

O=S(=O)(O)c1ccc(NNO)c(S(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 2/20 0.50
LMNA P02545 2/20 0.42
RAPGEF4 Q8WZA2 1/20 0.40
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 5/20 0.39
CASP6 P55212 4/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NSD2 O96028 1/20 0.38
APEX1 P27695 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
SNCA P37840 2/20 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
SCHEMBL9813346 0.82 TIMP3 (0.51) TIMP3LMNARAPGEF4ALDH1A1HSD17B10
SCHEMBL8981247 0.79 TIMP3 (0.51) TIMP3LMNARAPGEF4ALDH1A1HSD17B10
SCHEMBL9680143 0.78 NT5E (0.53) LMNAALDH1A1CYP2C19TDP1KDM4E
SCHEMBL9680173 0.77 ALDH1A1 (0.56) LMNAALDH1A1HSD17B10KDM4EPOLB
SCHEMBL9637465 0.77 TIMP3 (0.44) TIMP3LMNAALDH1A1HSD17B10KDM4E
SCHEMBL9680216 0.76 ALDH1A1 (0.51) LMNAALDH1A1CASP6TDP1POLB
SCHEMBL9329057 0.75 TIMP3 (0.48) TIMP3LMNARAPGEF4ALDH1A1HSD17B10
SCHEMBL10699443 0.74 TIMP3 (0.47) TIMP3LMNARAPGEF4ALDH1A1HSD17B10
SCHEMBL30084548 0.73 ALDH1A1 (0.48) TIMP3LMNAALDH1A1HSD17B10CASP6
SCHEMBL5409149 0.73 ALDH1A1 (0.48) TIMP3LMNAALDH1A1HSD17B10CASP6

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