SCHEMBL16615805

SCHEMBL16615805

O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCCCCC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.68
▸ PKM P14618 3/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.68
▸ MAPT P10636 3/20 0.66
▸ HPGD P15428 3/20 0.65
▸ LMNA P02545 2/20 0.65
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ GAA P10253 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.53
▸ HTT P42858 1/20 0.53

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
SCHEMBL16206624 0.80 ALDH1A1 (0.79) ALDH1A1PKMNPSR1MAPTHPGD
SCHEMBL1723104 0.79 NPC1 (0.76) ALDH1A1PKMHPGDLMNAGAA
SCHEMBL2703492 0.79 ALDH1A1 (0.74) ALDH1A1PKMNPSR1MAPTLMNA
SCHEMBL8266867 0.78 MEN1 (0.66) ALDH1A1PKMHPGDLMNAMEN1
SCHEMBL28023852 0.78 ALDH1A1 (0.82) ALDH1A1PKMNPSR1MAPTLMNA
SCHEMBL30390171 0.78 ALDH1A1 (0.58) ALDH1A1PKMNPSR1MAPTHPGD
SCHEMBL29031229 0.78 MEN1 (0.77) ALDH1A1PKMNPSR1MAPTHPGD
SCHEMBL17947766 0.77 ALDH1A1 (1.00) ALDH1A1PKMNPSR1MAPTHPGD
SCHEMBL9864972 0.76 NPC1 (0.67) ALDH1A1PKMMAPTHPGDLMNA
SCHEMBL15010186 0.75 ALDH1A1 (0.73) ALDH1A1PKMHPGDLMNAMEN1

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
WO-2015042685-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF VALORISATION-RECHERCHE (CA) 2015-04-02 — — WO disclosed
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