SCHEMBL3403756

SCHEMBL3403756

O=C(O)/C=C/c1cc(C2OCCO2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.39
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
EIF2AK2 P19525 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
ESR1 P03372 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HDAC3 O15379 1/20 0.30
TNKS O95271 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 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
SCHEMBL3403760 1.00 HCAR2 (0.39) HCAR2KDM4EMAPK1KMT2AEIF2AK2
SCHEMBL12919401 0.87 IAPP (0.31) KMT2AALDH1A1TDP1
SCHEMBL972283 0.83 ALDH1A1 (0.37) HCAR2KDM4EKMT2AALDH1A1L3MBTL1
SCHEMBL972285 0.77 AKR1C3 (0.33)
SCHEMBL28978883 0.72 RXRA (0.35) HCAR2KDM4EMAPK1KMT2A
SCHEMBL974048 0.70 KDM4E (0.46) KDM4EMAPK1KMT2AALDH1A1L3MBTL1
SCHEMBL380483 0.70 HCAR2 (0.48) HCAR2KDM4EMAPK1KMT2AEIF2AK2
SCHEMBL380484 0.70 HCAR2 (0.48) HCAR2KDM4EMAPK1KMT2AEIF2AK2
SCHEMBL3404357 0.69 RXRA (0.36) HCAR2KDM4EMAPK1KMT2AALDH1A1
SCHEMBL3404355 0.69 RXRA (0.36) HCAR2KDM4EMAPK1KMT2AALDH1A1

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 12 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-2886534-A1 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-Tech Ueno, Ltd. (JP) 2015-06-24 EP disclosed
US-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 US 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-8507476-B2 Substituted arylamide diazepinopyrimidone derivatives SANOFI (FR) 2013-08-13 US 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-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 WO disclosed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 WO disclosed