SCHEMBL4086624

SCHEMBL4086624

CCOC(=O)/C=C1\NC(=O)c2ccccc2S1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPK1 P28482 1/20 0.55
CASP1 P29466 1/20 0.55
MAPT P10636 4/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
BCHE P06276 1/20 0.43
PABPC1 P11940 2/20 0.42
APOBEC3A P31941 2/20 0.42
EIF4H Q15056 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40

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
SCHEMBL1001101 1.00 KDM4E (0.55) KDM4EHSD17B10MAPK1CASP1MAPT
SCHEMBL1001099 1.00 KDM4E (0.55) KDM4EHSD17B10MAPK1CASP1MAPT
SCHEMBL4664068 0.82 KDM4E (0.70) KDM4EHSD17B10MAPK1CASP1MAPT
SCHEMBL4664072 0.82 KDM4E (0.70) KDM4EHSD17B10MAPK1CASP1MAPT
SCHEMBL4093743 0.74 MAPT (0.64) KDM4EHSD17B10MAPK1MAPTHPGD
SCHEMBL249817 0.71 ALDH1A1 (0.64) KDM4EHSD17B10MAPK1CASP1MAPT
SCHEMBL14524539 0.71 ALDH1A1 (0.64) KDM4EHSD17B10MAPK1CASP1MAPT
SCHEMBL249816 0.71 ALDH1A1 (0.64) KDM4EHSD17B10MAPK1CASP1MAPT
SCHEMBL1004133 0.70 ALDH1A1 (0.57) KDM4EHSD17B10MAPK1MAPTHPGD
SCHEMBL1004132 0.70 ALDH1A1 (0.57) KDM4EHSD17B10MAPK1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173360-B2 Cell death inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-08 US disclosed
US-8173360-B2 Cell death inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-08 US disclosed
EP-2270505-A1 A method of screening a cell death inhibitor using macrophage migration inhibitory factor (MIF) Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
US-20100099106-A1 CELL DEATH INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-22 US disclosed
US-20100099106-A1 CELL DEATH INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-22 US disclosed