SCHEMBL10865684

SCHEMBL10865684

CCCNCCS(=O)(=O)CCOS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.36
CA1 P00915 3/20 0.32
CA2 P00918 2/20 0.32
ADH1B P00325 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30

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
SCHEMBL8779935 0.90 FNTA (0.33) FNTAFNTB
SCHEMBL10616403 0.89 ALDH1A1 (0.45) CA1CA2
SCHEMBL10865367 0.89 TSHR (0.40) PAOXCA1CA2ADH1BADH1A
SCHEMBL10617439 0.88 ALDH1A1 (0.43) CA1CA2
SCHEMBL8821253 0.87 CYP2C19 (0.33) FNTAFNTB
SCHEMBL8779904 0.81 CA12 (0.37) CA1CA2FNTAFNTB
SCHEMBL22800808 0.81 PAOX (0.47) PAOXCA1CA2FNTAFNTB
SCHEMBL22800811 0.81 PAOX (0.47) PAOXCA1CA2FNTAFNTB
SCHEMBL10615189 0.81 FNTA (0.31) FNTAFNTB
SCHEMBL10618161 0.79 CA1 (0.33) CA1CA2FNTAFNTB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4626589-A Organic dye compound having both pyridiniotriazinyl and vinylsulfone type fiber-reactive groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-12-02 US disclosed
EP-0167219-A1 Fiber-reactive compound having both pyridiniotriazinyl and vinylsulfone type groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-08 EP disclosed