SCHEMBL9687773

SCHEMBL9687773

CCCSC(SCCC)c1cccc(OCc2nc(-c3ccccc3)c(Br)s2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.41
CYSLTR1 Q9Y271 4/20 0.41
PPARD Q03181 7/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
HIF1A Q16665 1/20 0.36
ALOX5 P09917 1/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9687777 0.81 CYSLTR2 (0.40) CYSLTR2CYSLTR1PPARDHPGDALDH1A1
SCHEMBL9689503 0.79 NPC1 (0.56) CYSLTR2CYSLTR1MEN1KMT2AHPGD
SCHEMBL9689601 0.74 NPC1 (0.41) CYSLTR2CYSLTR1KMT2AMAPTMAPK1
SCHEMBL9689338 0.74 LOXL2 (0.42) CYSLTR2CYSLTR1MAPTALOX5MAPK1
SCHEMBL9688759 0.72 ALOX5 (0.51) CYSLTR2CYSLTR1ALOX5
SCHEMBL9689538 0.72 CYSLTR2 (0.49) CYSLTR2CYSLTR1MEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL9688361 0.71 CYSLTR2 (0.48) CYSLTR2CYSLTR1MEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL9689743 0.70 CYSLTR1 (0.64) CYSLTR2CYSLTR1MEN1KMT2AHPGD
SCHEMBL9688226 0.70 CYSLTR1 (0.45) CYSLTR2CYSLTR1MEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL9688773 0.69 CYSLTR1 (0.44) CYSLTR2CYSLTR1MEN1KMT2AHPGD

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