SCHEMBL3939082

SCHEMBL3939082

CC(=O)Nc1nc(C=Cc2ccc(/C=C/C(=O)O)cc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
PARP1 P09874 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
NPC1 O15118 3/20 0.42
MAPK1 P28482 3/20 0.42
ABL1 P00519 2/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
TYR P14679 2/20 0.41
CA12 O43570 1/20 0.41
AKR1B10 O60218 1/20 0.41

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
SCHEMBL3939083 1.00 KDM4E (0.53) KDM4EHSD17B10MAPTL3MBTL1PARP1
SCHEMBL3939079 1.00 KDM4E (0.53) KDM4EHSD17B10MAPTL3MBTL1PARP1
SCHEMBL4883820 0.89 KDM4E (0.61) KDM4EHSD17B10MAPTL3MBTL1SMN1; SMN2
SCHEMBL4883834 0.89 KDM4E (0.61) KDM4EHSD17B10MAPTL3MBTL1SMN1; SMN2
SCHEMBL5550186 0.87 KDM4E (0.51) KDM4EHSD17B10MAPTL3MBTL1PARP1
SCHEMBL971939 0.87 KDM4E (0.53) KDM4EHSD17B10MAPTL3MBTL1SMN1; SMN2
SCHEMBL971938 0.87 KDM4E (0.53) KDM4EHSD17B10MAPTL3MBTL1SMN1; SMN2
SCHEMBL974414 0.86 KDM4E (0.56) KDM4EHSD17B10MAPTL3MBTL1SMN1; SMN2
SCHEMBL974413 0.86 KDM4E (0.56) KDM4EHSD17B10MAPTL3MBTL1SMN1; SMN2
SCHEMBL4875973 0.85 KDM4E (0.55) KDM4EHSD17B10MAPTL3MBTL1SMN1; SMN2

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-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed