SCHEMBL22018227

SCHEMBL22018227

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

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL22018224 0.86
SCHEMBL22018612 0.85
SCHEMBL22018221 0.84
SCHEMBL22018208 0.81 MAPT (0.32) TP53MAPT
SCHEMBL22019247 0.79 MAPT (0.33) TP53MAPT
SCHEMBL22019251 0.72
SCHEMBL22018225 0.69
SCHEMBL22018211 0.69 MEN1 (0.37) TP53MAPT
SCHEMBL22018386 0.67 HCRTR1 (0.36) TP53MAPT
SCHEMBL22018210 0.67 MEN1 (0.31) MAPT

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