SCHEMBL31018374

SCHEMBL31018374

[2H]c1c([2H])c(-c2cccc3oc4ccccc4c23)c([2H])c([2H])c1-c1c2c([2H])c([2H])c([2H])c([2H])c2c(-c2c([2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c2c([2H])c([2H])c([2H])c([2H])c12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDC14B O60729 1/20 0.31
▸ CDC14A Q9UNH5 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ ALOX5 P09917 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
SCHEMBL31018376 0.88 ALOX5 (0.43) ALOX5
SCHEMBL31018375 0.82 NPC1 (0.35) ALOX5
SCHEMBL30079370 0.82 HDAC8 (0.35) —
SCHEMBL18382816 0.79 CA1 (0.39) CDC14BCDC14ABACE1ALOX5
SCHEMBL30608462 0.78 ALOX5 (0.35) CDC14BCDC14AALOX5
SCHEMBL18382682 0.77 BACE1 (0.35) CDC14BCDC14ABACE1ALOX5
SCHEMBL18382727 0.77 MAOA (0.33) CDC14BCDC14AALOX5
SCHEMBL30933211 0.76 MAOA (0.34) CDC14BCDC14AALOX5
SCHEMBL18382757 0.76 MAOA (0.32) CDC14BCDC14AALOX5
SCHEMBL17917501 0.75 L3MBTL1 (0.31) BACE1

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
CN-115380017-B Process for preparing deuterated compounds 株式会社LG化学 2024-06-18 — — CN disclosed
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