SCHEMBL28543732

SCHEMBL28543732

CCc1ccc(I)cc1CC.N[SH](=O)=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
DHFR P00374 1/20 0.33
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL8104506 0.89 IDO1 (0.36) IDO1SLC6A4SLC6A2DHFRGRIN2D
SCHEMBL28480935 0.78 TAAR1 (0.42) DHFR
SCHEMBL16831106 0.77 SLC6A4 (0.42) IDO1SLC6A4SLC6A2
SCHEMBL28538413 0.75 IDO1 (0.38) IDO1SLC6A4SLC6A2
SCHEMBL2478774 0.74 POLB (0.47) IDO1SLC6A4SLC6A2
SCHEMBL14066702 0.73 ALOX15 (0.38) SLC6A4SLC6A2
SCHEMBL21756928 0.73 SLC6A4 (0.39) SLC6A4SLC6A2
SCHEMBL8645452 0.73 GABRA1 (0.32) IDO1SLC6A4SLC6A2GRIN2DGRIN3B
SCHEMBL13019662 0.73 TTR (0.36) IDO1SLC6A4SLC6A2
SCHEMBL17745114 0.72 GABRA1 (0.46) IDO1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232330-B Method for synthesizing benzene sulfonamide compound from benzene sulfonyl chloride compound and triethylamine through metal-free catalysis 中国人民解放军国防科技大学 2021-03-26 CN disclosed