SCHEMBL9687777

SCHEMBL9687777

CCCSC(SCCC)c1ccccc1OCc1nc(-c2ccccc2)c(Br)s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.40
CYSLTR1 Q9Y271 7/20 0.40
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
PPARD Q03181 7/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9687773 0.81 CYSLTR2 (0.41) CYSLTR2CYSLTR1MAPTNPC1SMN1; SMN2
SCHEMBL9689507 0.78 NPC1 (0.58) CYSLTR2CYSLTR1MAPTNPC1SMN1; SMN2
SCHEMBL9689344 0.73 SMN1; SMN2 (0.44) CYSLTR2CYSLTR1MAPTNPC1SMN1; SMN2
SCHEMBL9689609 0.72 NPC1 (0.48) CYSLTR2CYSLTR1MAPTNPC1SMN1; SMN2
SCHEMBL9689541 0.69 CYSLTR2 (0.48) CYSLTR2CYSLTR1
Hydrochloric Acid SCHEMBL9688368 0.69 CYSLTR2 (0.47) CYSLTR2CYSLTR1
SCHEMBL9688764 0.68 CYSLTR2 (0.44) CYSLTR2CYSLTR1RAB9A
Hydrochloric Acid SCHEMBL9688459 0.68 CYSLTR1 (0.47) CYSLTR2CYSLTR1SMN1; SMN2HPGDALDH1A1
SCHEMBL9688234 0.68 CYSLTR2 (0.41) CYSLTR2CYSLTR1MAPTNPC1SMN1; SMN2
SCHEMBL9689103 0.67 MAPT (0.41) CYSLTR2CYSLTR1MAPTNPC1SMN1; SMN2

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