SCHEMBL22018373

SCHEMBL22018373

CCCCC(CC)Cn1c(=O)c2ccc3c4ccccc4sc4c(C#Cc5ccc(N)cn5)cc(c1=O)c2c43

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 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
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL22018372 0.85 MAPT (0.33) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL22019247 0.85 MAPT (0.33) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL22018385 0.84 MAPT (0.31) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL22018368 0.84 KDM4E (0.33) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL22019252 0.83 KDM4E (0.32) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL22018365 0.83 MEN1 (0.31) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL22018612 0.80
SCHEMBL22019251 0.78
SCHEMBL24270357 0.75 MAPT (0.40) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL22018367 0.72 MEN1 (0.40) KDM4EALDH1A1MAPTGAAHPGD

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