SCHEMBL5509075

SCHEMBL5509075

CNC(=O)c1cccc(-c2cncs2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
GAA P10253 1/20 0.37
ABL1 P00519 1/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
PDK2 Q15119 1/20 0.36
PIK3CD O00329 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
CD38 P28907 1/20 0.35

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
SCHEMBL6218537 0.84 ALDH1A1 (0.43) GAANPC1RAB9AHCRTR1HCRTR2
SCHEMBL1685064 0.83 PIK3CD (0.46) ALOX5APFEN1HCRTR1HCRTR2PIK3CD
SCHEMBL5509069 0.81 TYK2 (0.39) PLK1ALOX5APFEN1GAAABL1
Hydrochloric Acid SCHEMBL6218930 0.80 MEN1 (0.41) ALOX5APABL1JAK3TP53HCRTR1
SCHEMBL21384934 0.78 KDM4E (0.49) PLK1FEN1GAATP53NPC1
SCHEMBL27894364 0.74 MKNK1 (0.56) TP53MKNK1MKNK2KDM4EKMT2A
SCHEMBL26530879 0.74 KDM4E (0.40) ABL1HCRTR1HCRTR2IMPDH2CD38
SCHEMBL19302794 0.73 MKNK1 (0.54) PLK1NPC1RAB9AMKNK1MKNK2
Hydrochloric Acid SCHEMBL5508208 0.72 JAK2 (0.34) ABL1JAK2JAK1TYK2JAK3
SCHEMBL19894025 0.71 RAB9A (0.45) GAANPC1RAB9APIK3CDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 WO disclosed