SCHEMBL5070432

SCHEMBL5070432

CC1=C(C)N(CC(=O)c2cccc3c2NC(=O)CC3)CS1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
NPC1 O15118 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
SMYD3 Q9H7B4 2/20 0.31
HTR2A P28223 1/20 0.31
GRM5 P41594 1/20 0.31
PARP1 P09874 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
F2 P00734 1/20 0.30

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
SCHEMBL5069516 0.76 GRIN2B (0.50) ALOX15NPC1SMYD3HTR2A
SCHEMBL6973213 0.75 PTPN1 (0.41) NPC1MAPK13MAPK12MAPK11MAPK14
Bromide SCHEMBL3843849 0.75 GRIN2B (0.49) ALOX15NPC1SMYD3HTR2A
SCHEMBL3846303 0.73 MEN1 (0.39) ALOX15NPC1LMNA
SCHEMBL6535178 0.73 MGAM (0.45) NPC1LMNAHTT
SCHEMBL7350316 0.73 NPC1 (0.41) NPC1MAPK13MAPK12MAPK11MAPK14
Bromide SCHEMBL3850340 0.72 MGAM (0.44) NPC1LMNAHTT
SCHEMBL6535503 0.69 CA12 (0.39) ALOX15LMNAHTT
SCHEMBL8546122 0.69 LMNA (0.37) ALOX15LMNA
SCHEMBL1820216 0.69 ALDH1A1 (0.46) ALOX15NPC1LMNAHTT

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
EP-1128830-B1 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS SYNVISTA THERAPEUTICS INC (US) 2008-03-12 EP claimed