SCHEMBL9840845

SCHEMBL9840845

Cc1ccccc1S(=O)(=O)CCOc1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 5/20 0.34
HTT P42858 2/20 0.34
ALOX12 P18054 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
PDIA6 Q15084 1/20 0.33
POLB P06746 2/20 0.32
TXNRD1 Q16881 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31

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
SCHEMBL9840841 0.77 ALDH1A1 (0.49) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL28358893 0.74 KMT2A (0.51) KEAP1NFE2L2ALDH1A1HTTALOX12
SCHEMBL9840834 0.73 ALDH1A1 (0.33) KEAP1NFE2L2ALDH1A1HTTALOX12
SCHEMBL7194392 0.73 KEAP1 (0.57) KEAP1NFE2L2ALDH1A1HTTALOX12
SCHEMBL27040077 0.72 KEAP1 (0.48) KEAP1NFE2L2ALDH1A1HTTALOX12
SCHEMBL10528432 0.72 KEAP1 (0.48) KEAP1NFE2L2ALDH1A1HTTALOX12
SCHEMBL1642775 0.72 S1PR1 (0.37) ALDH1A1HTTMEN1KMT2APKM
SCHEMBL13069611 0.71 KEAP1 (0.47) KEAP1NFE2L2ALDH1A1HTTALOX12
SCHEMBL7580913 0.71 HPGD (0.32) TSHR
SCHEMBL9013754 0.70 KEAP1 (0.49) KEAP1NFE2L2ALDH1A1HTTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992559-A Electrochromic displays, antistatic agents, pH detectors, electrodes COOKSON GROUP PLC (GB) 1991-02-12 US disclosed
EP-0253594-A2 Polymerisable thiophene monomers, their production and polymers prepared therefrom COOKSON GROUP plc (GB) 1988-01-20 EP disclosed