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SCHEMBL22018365

SCHEMBL22018365

CCCCC(CC)Cn1c(=O)c2ccc3c4ccccc4sc4c(C#Cc5ccc(Nc6ccc7sc8c(C#Cc9ccc(N)cc9)cc9c(=O)n(CC(CC)CCCC)c(=O)c%10ccc(c7c6)c8c%109)cc5)cc(c1=O)c2c43

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL22018372 0.86 MAPT (0.33) RAB9AKDM4EALDH1A1GAAMAPT
SCHEMBL22019247 0.83 MAPT (0.33) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL22018373 0.83 KDM4E (0.33) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL22019252 0.81 KDM4E (0.32) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL22019251 0.78 — —
SCHEMBL22018211 0.78 MEN1 (0.37) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL22018367 0.78 MEN1 (0.40) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL22019250 0.75 — —
SCHEMBL24270357 0.74 MAPT (0.40) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL22018366 0.70 RAB9A (0.41) MEN1NPC1RAB9AKMT2AKDM4E

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