SCHEMBL6932164

SCHEMBL6932164

CC(=O)Nc1ccccc1S(=O)(=O)CCO

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 2/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.45
SLC40A1 Q9NP59 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 3/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
LMNA P02545 2/20 0.43
MAOA P21397 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL28247231 0.85 MAPK1 (0.53) SMN1; SMN2HTTALDH1A1HPGDPOLB
SCHEMBL9811326 0.79 CA2 (0.47) SMN1; SMN2ALDH1A1CYP2C19MAPK1PKM
SCHEMBL8423628 0.79 KMT2A (0.46) HTTALDH1A1HPGDPOLBCYP2C19
SCHEMBL2342479 0.78 ALDH1A1 (0.55) SMN1; SMN2HTTALDH1A1HPGDPOLB
SCHEMBL498547 0.78 ALDH1A1 (0.55) SMN1; SMN2HTTALDH1A1HPGDPOLB
SCHEMBL30673688 0.78 ALDH1A1 (0.55) SMN1; SMN2HTTALDH1A1HPGDPOLB
SCHEMBL1644002 0.78 ALDH1A1 (0.55) SMN1; SMN2HTTALDH1A1HPGDPOLB
SCHEMBL7358830 0.77 CA2 (0.39) ALDH1A1HPGDMAPK1CA1CA2
SCHEMBL10650380 0.76 CA2 (0.48) SMN1; SMN2TSHRCA1CA2CA9
SCHEMBL1279094 0.76 ALDH1A1 (0.53) SMN1; SMN2HTTALDH1A1HPGDPOLB

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
EP-1066349-B1 REACTIVE BLACK DYES CONTAINING ACETOXYETHYLSULFONE MOIETIES KOREA RES INST CHEM TECH (KR) 2003-06-11 EP disclosed
EP-1066344-B1 REACTIVE RED DYES CONTAINING MONOCHLOROTRIAZINE AND ACETOXYETHYL SULFONE GROUPS KOREA RES INST CHEM TECH (KR) 2002-07-24 EP disclosed
EP-1071727-B1 REACTIVE BLUE DYES CONTAINING MONOCHLOROTRIAZINE AND ACETOXYETHYL SULFONE GROUPS KOREA RES INST CHEM TECH (KR) 2002-06-12 EP disclosed
US-6326474-B1 DIAZOTIZING AN AMINOPHENYL-B-ACETOXYETHYL SULFONE; NEUTRALIZATION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-12-04 US disclosed
US-6310187-B1 CONDENSING 1-NAPHTHOL-8-AMINO-3,6-DISULFONIC ACID AND CYANURIC CHLORIDE; DIAZOTIZING 2-NAPHTHYLAMINE-1,5-DISULFONIC ACID AND THEN COUPLING WITH ABOVE; REACTING WITH AMINOPHENYL 2-ACETOXYETHYL SULFONE KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-10-30 US disclosed
US-6307033-B1 REACTIVE DYES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-10-23 US disclosed
EP-0092909-B1 PROCESS FOR PRODUCING AMINOPHENYL-BETA-HYDROXYETHYLSULFONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-19 EP disclosed
US-4612394-A Process for producing aminophenyl-β-hydroxyethylsulfone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-16 US disclosed
US-4482501-A REACTING AN AMINOARYL- OR AMIDOARYL-B- HYDROXYLETHYLSULFONE WITH SULFURIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-13 US disclosed
EP-0092909-A2 Process for producing aminophenyl-beta-hydroxyethylsulfone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-02 EP disclosed
US-4346046-A FROM AMINOARYL-B-HYDROXYETHYLSULFONE AND SULFURIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-08-24 US disclosed