SCHEMBL9809482

SCHEMBL9809482

CCOc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(Cl)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
CREBBP Q92793 1/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL9776619 0.88 HSD17B10 (0.39) HSD17B10SMN1; SMN2NPC1USP2RAB9A
SCHEMBL9682404 0.87 GAA (0.45) SMN1; SMN2NPC1TSHRPOLBALDH1A1
SCHEMBL8008875 0.85 HSD17B10 (0.39) HSD17B10SMN1; SMN2NPC1USP2RAB9A
SCHEMBL10913509 0.85 CA2 (0.40) HSD17B10SMN1; SMN2NPC1USP2RAB9A
SCHEMBL4392652 0.84 MAPT (0.39) HSD17B10SMN1; SMN2NPC1USP2RAB9A
SCHEMBL8951874 0.82 CA2 (0.39) HSD17B10SMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL9558895 0.82 CA2 (0.46) HSD17B10TSHRPOLBALDH1A1HPGD
SCHEMBL11670686 0.76 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPC1USP2RAB9A
SCHEMBL11313793 0.76 SMN1; SMN2 (0.48) HSD17B10SMN1; SMN2NPC1USP2RAB9A
SCHEMBL9750152 0.75 LMNA (0.31) HSD17B10MAPTTSHRLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015731-A For fibers such as wool and cellulose HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
US-4564672-A Water-soluble monoazo and disazo compounds containing a fibre-reactive 2-alkoxy-5-chloro-aniline diazo component and copper complexes thereof, useful as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-14 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
EP-0099721-A1 Reactive metal formazan blue dye SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-02-01 EP disclosed