SCHEMBL9729949

SCHEMBL9729949

C=CCOC(=O)c1sccc1S(=O)(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RHOA P61586 1/20 0.37
TP53 P04637 3/20 0.36
SNCA P37840 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 4/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSP90AA1 P07900 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 4/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8973307 0.81 PKM (0.45) CYP3A4ALDH1A1TSHRMAPTMEN1
SCHEMBL18984964 0.77 CYP3A4 (0.59) CYP3A4ALDH1A1HSD17B10TSHRMAPT
SCHEMBL9729920 0.76 CYP3A4 (0.40) CYP3A4ALDH1A1HSD17B10TSHRMAPT
SCHEMBL4786272 0.76 ALDH1A1 (0.54) CYP3A4ALDH1A1HSD17B10TSHRMAPT
SCHEMBL388034 0.75 MAPT (0.55) TSHRMAPTMEN1KMT2ATP53
SCHEMBL9728565 0.71 LMNA (0.62) CYP3A4TSHRMEN1KMT2AKDM4E
SCHEMBL9433064 0.71 LMNA (0.44) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL5483086 0.70 HPGD (0.48) CYP3A4ALDH1A1MAPTMEN1KMT2A
SCHEMBL11043471 0.69 CYP3A4 (0.56) CYP3A4ALDH1A1HSD17B10TSHRMAPT
SCHEMBL27256323 0.69 KMT2A (0.46) CYP3A4ALDH1A1TSHRMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1313474-A None JP disclosed
US-5156944-A LIGHT-SENSITIVE SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL HAVING CROSS-EMULSION SENSITIVE DIR COMPOUNDS KONICA CORPORATION (JP) 1992-10-20 US disclosed
US-5138072-A Process for the preparation of 5-chloro-3-chlorosulphonyl-2-thiophenecarboxylic acid esters HAFSLUND NYCOMED PHARMA AKTIENGESELLSCHAFT (AT) 1992-08-11 US disclosed
JP-H01313474-A PRODUCTION OF 5-CHLORO-3-CHLOROSULFONYL-2-THIOPHENECARBOXYLIC ESTER CL PHARMA AG 1989-12-18 JP disclosed
US-H504-H DIAZOTIZATION OF AMINE, SULFONATION E. I. DU PONT DE NEMOURS (US) 1988-08-02 US disclosed
US-H504-H DIAZOTIZATION OF AMINE, SULFONATION E. I. DU PONT DE NEMOURS (US) 1988-08-02 US disclosed
US-4725529-A Developing inhibitor arrangment in light-sensitive silver halide color photographic materials KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1988-02-16 US disclosed