SCHEMBL8912853

SCHEMBL8912853

CCOc1cc(S(=O)(=O)O)c(C)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
RAB9A P51151 1/20 0.44
CREBBP Q92793 2/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
BRD4 O60885 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 3/20 0.39

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
SCHEMBL10383857 0.94 PKM (0.46) HSD17B10CTDSP1TDP1SMN1; SMN2NPC1
SCHEMBL2911885 0.87 CTDSP1 (0.48) HSD17B10CTDSP1TDP1SMN1; SMN2NPC1
SCHEMBL8100271 0.87 CTDSP1 (0.50) HSD17B10CTDSP1TDP1SMN1; SMN2NPC1
SCHEMBL8912886 0.87 HSD17B10 (0.47) HSD17B10CTDSP1TDP1SMN1; SMN2NPC1
SCHEMBL10581188 0.83 CTDSP1 (0.50) HSD17B10CTDSP1TDP1SMN1; SMN2NPC1
SCHEMBL153566 0.81 PKM (0.56) HSD17B10TDP1CREBBPALDH1A1L3MBTL1
SCHEMBL31435700 0.81 PKM (0.56) HSD17B10TDP1CREBBPALDH1A1L3MBTL1
SCHEMBL2912354 0.81 CTDSP1 (0.51) HSD17B10CTDSP1TDP1SMN1; SMN2NPC1
Sulfuric Acid SCHEMBL8642497 0.81 HSD17B10 (0.53) HSD17B10CTDSP1TDP1SMN1; SMN2NPC1
Sulfuric Acid SCHEMBL2480079 0.80 HSD17B10 (0.46) HSD17B10CTDSP1TDP1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5596083-A CELLULOSE, POLYAMIDES, POLYURETHANES OR LEATHER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-01-21 US disclosed
EP-0719840-A1 Monoazo compounds and method for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-03 EP disclosed
US-5116959-A Build-up; colorfastness; red SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-26 US disclosed
EP-0239847-B1 A MONOAZO COMPOUND HAVING VINYLSULFONE TYPE FIBER REACTIVE GROUP THROUGH A SUBSTITUTED TRIAZINYL BRIDGING GROUP SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-09-19 EP disclosed
EP-0239847-A1 A monoazo compound having vinylsulfone type fiber reactive group through a substituted triazinyl bridging group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-07 EP disclosed
EP-0115705-B1 MONOAZO COMPOUND HAVING BOTH MONOCHLOROTRIAZINYL AND VINYLSULFONE TYPE REACTIVE GROUPS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-04-08 EP disclosed
US-4511507-A Monoazo compound having both monochlorotriazinyl and vinylsulfone type reactive groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-04-16 US disclosed
EP-0052985-B1 REACTIVE MONOAZO SCARLET DYES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-09-05 EP disclosed
EP-0115705-A2 Monoazo compound having both monochlorotriazinyl and vinylsulfone type reactive groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-15 EP disclosed
EP-0052985-A1 Reactive monoazo scarlet dyes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-02 EP disclosed
EP-0033852-A1 Water-soluble disazo dyestuffs, their preparation and use CASSELLA Aktiengesellschaft (DE) 1981-08-19 EP disclosed