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SCHEMBL14645349

SCHEMBL14645349

CCCCC(CC)COc1ccc(N(c2ccc(OCC(CC)CCCC)cc2)c2ccc(-c3sc(-c4ccc5c(c4)C(=O)c4cc(Br)ccc4-5)c4c3OCCO4)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL14645348 0.90 — —
SCHEMBL14645393 0.85 MAPT (0.39) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL14645357 0.80 MAPT (0.42) MAPT
SCHEMBL14645355 0.80 MAPT (0.42) MAPT
SCHEMBL14645518 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL12958413 0.78 CYP1A2 (0.32) ALDH1A1MAPTKMT2A
SCHEMBL14645642 0.74 TDP1 (0.37) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL14646038 0.73 APP (0.39) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL17713611 0.72 CYP2D6 (0.41) NPC1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL14645485 0.72 TDP1 (0.50) MEN1ALDH1A1MAPTKMT2AL3MBTL1

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-2013008951-A1 ORGANIC DYE, DYE-SENSITIZED METAL OXIDE SEMICONDUCTOR ELECTRODE AND DYE-SENSITIZED SOLAR CELL NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2013-01-17 — — WO disclosed