SCHEMBL22018372

SCHEMBL22018372

CCCCC(CC)Cn1c(=O)c2ccc3c4ccccc4sc4c(C#Cc5cccc(N)c5)cc(c1=O)c2c43

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 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
HCRTR1 O43613 1/20 0.33
ADRB2 P07550 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 2/20 0.31
ABL1 P00519 1/20 0.30
RET P07949 1/20 0.30

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
SCHEMBL22019247 0.87 MAPT (0.33) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL22018365 0.86 MEN1 (0.31) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL22018373 0.85 KDM4E (0.33) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL22019252 0.85 KDM4E (0.32) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL22018386 0.83 HCRTR1 (0.36) MAPTALDH1A1HPGDHCRTR1ADRB2
SCHEMBL22018366 0.83 RAB9A (0.41) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL22019251 0.81
SCHEMBL22019250 0.77
SCHEMBL24270357 0.76 MAPT (0.40) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL22018367 0.75 MEN1 (0.40) MAPTKDM4EALDH1A1GAAHPGD

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