SCHEMBL9868513

SCHEMBL9868513

CC(C)c1ccccc1-c1nsc(SN)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
DHFR P00374 1/20 0.35
USP1 O94782 11/20 0.34
WDR48 Q8TAF3 9/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TRPA1 O75762 1/20 0.34
PIP4K2C Q8TBX8 2/20 0.33
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33

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
SCHEMBL9867842 0.77 RAB9A (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9868463 0.76 HSD17B10 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9867471 0.76 NPC1 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9868267 0.74 CA12 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1CA12
SCHEMBL9867795 0.73 PSMB8 (0.42) NPC1RAB9ASMN1; SMN2USP1WDR48
SCHEMBL9875069 0.72 CYP19A1 (0.41) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9867210 0.72 ADORA3 (0.58) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12444953 0.65 PIP4K2C (0.47) CA12CA1CA2CA9USP1
SCHEMBL167078 0.65 GABRA1 (0.55) NPC1RAB9ASMN1; SMN2L3MBTL1CA12
SCHEMBL29414063 0.65 GABRA1 (0.55) NPC1RAB9ASMN1; SMN2L3MBTL1CA12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985450-A TREATMENT OF GLAUCOMA AVENTIS PHARMACEUTICALS INC. 1991-01-15 US claimed
US-4985450-A TREATMENT OF GLAUCOMA AVENTIS PHARMACEUTICALS INC. 1991-01-15 US disclosed
US-4873239-A GLAUCOMA TREATMENT HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-10-10 US disclosed
EP-0276822-A1 Arylthiadiazolylsulfonamides and derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-08-03 EP disclosed
US-4758578-A Arylthiadiazolylsulfonamides, pharmaceutical compositions and use HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1988-07-19 US disclosed