SCHEMBL4093743

SCHEMBL4093743

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
POLB P06746 4/20 0.64
HPGD P15428 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
ALOX15 P16050 1/20 0.46
MAPK10 P53779 1/20 0.46
GSK3B P49841 1/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 2/20 0.40
CASP3 P42574 1/20 0.38
CASP2 P42575 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
TP53 P04637 6/20 0.38

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
SCHEMBL4086624 0.74 KDM4E (0.55) MAPTPOLBHPGDTDP1L3MBTL1
SCHEMBL1001099 0.74 KDM4E (0.55) MAPTPOLBHPGDTDP1L3MBTL1
SCHEMBL1001101 0.74 KDM4E (0.55) MAPTPOLBHPGDTDP1L3MBTL1
SCHEMBL11319550 0.73 NOX1 (0.58) MAPTPOLBHPGDTDP1L3MBTL1
SCHEMBL3194688 0.73 L3MBTL1 (0.58) MAPTPOLBHPGDTDP1L3MBTL1
SCHEMBL8988 0.72 L3MBTL1 (1.00) MAPTPOLBHPGDTDP1L3MBTL1
SCHEMBL24413829 0.68 MAPT (0.66) MAPTPOLBL3MBTL1ALDH1A1HSD17B10
Phthalimide SCHEMBL28635005 0.68 GSK3B (0.75) MAPTPOLBHPGDTDP1L3MBTL1
Phthalimide SCHEMBL335240 0.68 GSK3B (0.75) MAPTPOLBHPGDTDP1L3MBTL1
SCHEMBL15905962 0.67 LMNA (0.60) MAPTHPGDL3MBTL1ALDH1A1HSD17B10

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 2 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-20100099106-A1 CELL DEATH INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-22 US disclosed