SCHEMBL3403637

SCHEMBL3403637

CC(=O)Nc1nc(C=Cc2csc(C=CC(=O)O)c2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
TYR P14679 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
ABL1 P00519 7/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CASP3 P42574 1/20 0.36
HTT P42858 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL15158280 1.00 KDM4E (0.49) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL3403632 1.00 KDM4E (0.49) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL972619 0.88 HSD17B10 (0.47) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL972621 0.86 KDM4E (0.52) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL972620 0.86 KDM4E (0.52) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL3939079 0.85 KDM4E (0.53) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL3939083 0.85 KDM4E (0.53) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL3939082 0.85 KDM4E (0.53) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL4883820 0.85 KDM4E (0.61) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL4883834 0.85 KDM4E (0.61) KDM4EHSD17B10MAPTL3MBTL1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2650287-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP disclosed
EP-2650287-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2014-12-03 EP disclosed
EP-2676955-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-12-25 EP disclosed
EP-2650287-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-10-16 EP disclosed
EP-2639229-A2 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-09-18 EP disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
EP-2252604-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2010-11-24 EP disclosed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 WO disclosed