SCHEMBL9689507

SCHEMBL9689507

CCCSC(SCCC)c1ccccc1OCc1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.58
RAB9A P51151 8/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MAPT P10636 5/20 0.58
PKM P14618 1/20 0.58
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 2/20 0.50
KMT2A Q03164 6/20 0.49
F9 P00740 1/20 0.45
F10 P00742 1/20 0.45
MEN1 O00255 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.43
EPHX2 P34913 2/20 0.42
ALOX5 P09917 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL9689609 0.86 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL9689635 0.83 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL9689503 0.79 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL9687777 0.78 CYSLTR2 (0.40) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL9688234 0.75 CYSLTR2 (0.41) NPC1RAB9ASMN1; SMN2MAPTPKM
Hydrochloric Acid SCHEMBL9688459 0.75 CYSLTR1 (0.47) SMN1; SMN2HPGDMAPK1KMT2AMEN1
Hydrochloric Acid SCHEMBL9688777 0.74 CYSLTR2 (0.41) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL9689103 0.74 MAPT (0.41) NPC1RAB9ASMN1; SMN2MAPTHPGD
Hydrochloric Acid SCHEMBL9688712 0.74 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MAPTPKM

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