SCHEMBL4611484

SCHEMBL4611484

CC(=O)/C=C(/C)O.c1csc(-c2cccnc2-c2cccs2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.41
KDM4E B2RXH2 3/20 0.37
GLO1 Q04760 1/20 0.37
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 4/20 0.36
S100A4 P26447 2/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE3B Q13370 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
SCHEMBL1710161 0.99 TOP2A (0.40) TOP2AKDM4EGLO1MAPK1NPC1
Acetic Acid SCHEMBL28652614 0.83 TOP2A (0.44) TOP2AKDM4EGLO1MAPK1NPC1
SCHEMBL4170768 0.81 CYP11B1 (0.48) KDM4EGLO1CYP11B1CYP11B2MAPT
SCHEMBL29675365 0.81 CYP11B1 (0.48) KDM4EGLO1CYP11B1CYP11B2MAPT
SCHEMBL30497068 0.80 CYP11B1 (0.47) KDM4EGLO1CYP11B1CYP11B2MAPT
SCHEMBL4613090 0.76 TOP2A (0.41) TOP2AKDM4EGLO1MAPK1NPC1
SCHEMBL11877879 0.71 KDM4E (0.49) KDM4EGLO1HSD17B10MAPTGAA
SCHEMBL28609066 0.71 CYP11B1 (0.40) KDM4EGLO1CYP11B1CYP11B2MAPT
Formic Acid SCHEMBL27831586 0.69 CYP11B1 (0.35) TOP2AKDM4EGLO1CYP11B1CYP11B2
SCHEMBL31500784 0.68 SMN1; SMN2 (0.50) KDM4ENPC1HSD17B10CYP11B1CYP11B2

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-1661899-B1 Organic electroluminescent device SAMSUNG SDI CO LTD (KR) 2008-10-15 EP claimed