SCHEMBL9689609

SCHEMBL9689609

CCCSC(SCCC)c1ccccc1OCc1nc2cc(OC)ccc2s1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.48
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
MAPT P10636 4/20 0.48
PKM P14618 2/20 0.48
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
AKR1B1 P15121 1/20 0.37
PPARA Q07869 3/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL9689344 0.87 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL9689507 0.86 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL9689601 0.82 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL9687777 0.72 CYSLTR2 (0.40) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL9689503 0.71 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL9689635 0.71 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL9688764 0.70 CYSLTR2 (0.44) RAB9ACYSLTR2CYSLTR1
SCHEMBL9689338 0.70 LOXL2 (0.42) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL10271387 0.70 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTPKM
Hydrochloric Acid SCHEMBL9688459 0.68 CYSLTR1 (0.47) SMN1; SMN2HPGDKMT2AMAPK1CYSLTR2

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