SCHEMBL22019247

SCHEMBL22019247

CCCCC(CC)Cn1c(=O)c2ccc3c4ccccc4sc4c(C#Cc5ccc(N)s5)cc(c1=O)c2c43

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL22019251 0.91
SCHEMBL22018372 0.87 MAPT (0.33) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL22019252 0.87 KDM4E (0.32) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL22018373 0.85 KDM4E (0.33) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL22019249 0.85 KDM4E (0.33) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL22018208 0.83 MAPT (0.32) MAPTKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL22018365 0.83 MEN1 (0.31) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL22018227 0.79 TP53 (0.30) MAPTTP53
SCHEMBL24270357 0.78 MAPT (0.40) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL22018211 0.71 MEN1 (0.37) MAPTKDM4EALDH1A1HPGDMAPK1

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
WO-2020099793-A1 NOVEL BENZOTHIOXANTHENE P-CONJUGATED MOLECULES FOR ENERGY STORAGE UNIVERSITE D'ANGERS (FR) 2020-05-22 WO disclosed