SCHEMBL9689601

SCHEMBL9689601

CCCSC(SCCC)c1cccc(OCc2nc3cc(OC)ccc3s2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 1/20 0.41
CYSLTR2 Q9NS75 3/20 0.39
CYSLTR1 Q9Y271 3/20 0.39
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
PPARA Q07869 2/20 0.37

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) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL9689503 0.88 NPC1 (0.56) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL9689609 0.82 NPC1 (0.48) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL9687773 0.74 CYSLTR2 (0.41) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL9689626 0.72 NPC1 (0.59) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL10271387 0.70 NPC1 (0.59) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL9339025 0.70 PTGER4 (0.53) NPC1RAB9AL3MBTL1MAPTHTT
Hydrochloric Acid SCHEMBL9689743 0.70 CYSLTR1 (0.64) SMN1; SMN2MAPK1CYSLTR2CYSLTR1KMT2A
SCHEMBL9688226 0.70 CYSLTR1 (0.45) SMN1; SMN2MAPK1CYSLTR2CYSLTR1KMT2A
SCHEMBL9688759 0.69 ALOX5 (0.51) CYSLTR2CYSLTR1

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