SCHEMBL9484177

SCHEMBL9484177

O=C(c1ccc2c(c1)[S+]([O-])CN2)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGDS O60760 1/20 0.44
JAK3 P52333 7/20 0.43
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL5727289 0.80 ATM (0.44) HPGDNPC1RAB9ASMN1; SMN2HTT
SCHEMBL9483959 0.77 HTT (0.45) HPGDNPC1RAB9ASMN1; SMN2HTT
SCHEMBL9483366 0.76 SRD5A2 (0.41) HPGDNPC1SMN1; SMN2HTTKMT2A
SCHEMBL5727593 0.75 ERCC5 (0.40) ALDH1A1
SCHEMBL9484049 0.75 SRD5A2 (0.45) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL5727378 0.75 MAPT (0.39) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL9685893 0.75 CNR2 (0.36) CNR2
SCHEMBL9482917 0.73 HPGD (0.45) HPGDNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9483334 0.73 ALDH1A1 (0.48) HPGDNPC1RAB9AHTTMAPT
SCHEMBL9483054 0.71 ATM (0.41) HPGDNPC1RAB9ASMN1; SMN2HTT

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
US-5240949-A Analgesics, blood lipid normalizing ADIR ET COMPAGNIE (FR) 1993-08-31 US disclosed
US-5166353-A Analgesics, anticholesterol agents, anticoagulants, antilipemic agents ADIR ET COMPAGNIE (FR) 1992-11-24 US disclosed
US-5162350-A Analgesics; nontoxic; side effect reduction ADIR ET COMPAGNIE (FR) 1992-11-10 US disclosed
US-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed