SCHEMBL8046841

SCHEMBL8046841

c1ccc2c(c1)nc1snc(OCCN3CCOCC3)n12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.47
PDE2A O00408 1/20 0.46
LMNA P02545 1/20 0.46
MKNK1 Q9BUB5 2/20 0.46
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
MAPT P10636 1/20 0.44
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL7478340 0.78 ALDH1A1 (0.40) LMNAFGFR1MAPTHSD17B10L3MBTL1
SCHEMBL8044732 0.77 KDM4E (0.52) LMNAMKNK1MAPTCASP1CASP7
SCHEMBL7474146 0.77 HPGD (0.59) LMNAMAPTCASP1CASP7HSD17B10
SCHEMBL7485545 0.77 ALDH1A1 (0.45) PDE2ALMNAMAPTL3MBTL1KDM4E
SCHEMBL7473993 0.75 ADORA3 (0.41) MAPTHSD17B10KDM4EGAAHPGD
SCHEMBL7476332 0.73 ENPP1 (0.52) MAPTKDM4EGAAHPGDHIF1A
SCHEMBL7478966 0.70 HSD17B10 (0.43) PDE2ALMNAMAPTCASP1HSD17B10
SCHEMBL23122602 0.70 LMNA (0.52) LTA4HPDE2ALMNAMKNK1MAPT
SCHEMBL28794833 0.68 ASAH1 (0.55) LMNAMAPTCASP1CASP7HSD17B10
SCHEMBL30098131 0.68 ASAH1 (0.55) LMNAMAPTCASP1CASP7HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114537-A 1,2,4-THIADIAZOLE COMPOUND IS USEFUL FOR TRAPPING THIOL COMPOUNDS AND SELECTIVELY CHANGING THIOLS TO DISULFIDE COMPOUNDS APOTEX INC. (CA) 2000-09-05 US disclosed