SCHEMBL10503285

SCHEMBL10503285

CCCCCCCCCCCCc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 4/20 0.62
HTT P42858 4/20 0.62
POLB P06746 1/20 0.62
NOD1 Q9Y239 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
GAA P10253 3/20 0.54
TSHR P16473 4/20 0.53
ALDH1A1 P00352 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CA2 P00918 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL8329551 0.77 ALDH3A1 (1.00) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL422055 0.77 ALDH3A1 (0.77) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL11588323 0.76 ASAH1 (0.46) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL11586820 0.76 ASAH1 (0.46) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL3475552 0.75 HTT (0.50) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL32679275 0.74 ALDH3A1 (0.73) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL32679291 0.72 ALDH3A1 (0.61) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL14458185 0.71 ALDH3A1 (0.68) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL14601697 0.71 ALDH3A1 (0.68) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL21820015 0.71 HTT (0.58) ALDH3A1HTTPOLBNOD1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0193307-B1 PROCESS FOR THE EXTRACTION OF METAL VALUES AND NOVEL METAL EXTRACTANTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-09 EP claimed
EP-0193307-A2 Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-09-03 EP claimed
EP-0193307-B1 PROCESS FOR THE EXTRACTION OF METAL VALUES AND NOVEL METAL EXTRACTANTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-09 EP disclosed
EP-0193307-A2 Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-09-03 EP disclosed