SCHEMBL9689344

SCHEMBL9689344

CCCSC(SCCC)c1ccccc1OCc1nc2cc(Cl)ccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EPHX2 P34913 5/20 0.41
ALOX5 P09917 4/20 0.40
PPARA Q07869 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F9 P00740 1/20 0.37
F10 P00742 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL9689507 0.87 NPC1 (0.58) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL9689609 0.87 NPC1 (0.48) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL9689338 0.81 LOXL2 (0.42) SMN1; SMN2NPC1RAB9AMAPTLOXL2
SCHEMBL9687777 0.73 CYSLTR2 (0.40) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL9689635 0.71 NPC1 (0.61) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL3655447 0.70 LOXL2 (0.51) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL9689503 0.69 NPC1 (0.56) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL16425158 0.69 LOXL2 (0.64) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL9689601 0.69 NPC1 (0.41) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL9688764 0.69 CYSLTR2 (0.44) RAB9AALOX5CYSLTR2CYSLTR1

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 3 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-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