SCHEMBL9689503

SCHEMBL9689503

CCCSC(SCCC)c1cccc(OCc2nc3ccccc3s2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 4/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALOX5 P09917 4/20 0.43
EPHX2 P34913 4/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42

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
SCHEMBL9689338 0.88 LOXL2 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL9689601 0.88 NPC1 (0.41) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL9689626 0.84 NPC1 (0.59) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL9687773 0.79 CYSLTR2 (0.41) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL9689507 0.79 NPC1 (0.58) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
Hydrochloric Acid SCHEMBL9689743 0.77 CYSLTR1 (0.64) SMN1; SMN2MAPK1KMT2AMEN1ALDH1A1
SCHEMBL9688226 0.77 CYSLTR1 (0.45) SMN1; SMN2MAPK1KMT2AMEN1ALDH1A1
SCHEMBL9689101 0.76 CYSLTR1 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
Hydrochloric Acid SCHEMBL9688773 0.76 CYSLTR1 (0.44) SMN1; SMN2MAPK1KMT2AMEN1ALDH1A1
SCHEMBL17148037 0.76 NPC1 (0.66) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1

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-0291916-B1 DITHIOACETAL COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-12 EP disclosed
US-5081126-A QUINOLYL- AND ISOQUINOLYL-METHOXYPHENYL-DITHIOACETYL DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-14 US disclosed
US-4963576-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; 5-LIPOXYGENASE INHIBITOR FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-10-16 US disclosed
EP-0291916-A1 Dithioacetal compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-23 EP disclosed