SCHEMBL27045232

SCHEMBL27045232

O=C(O)C1CC(CNc2nc(-c3ccc(-c4ccc(F)cc4)cc3)c(Br)s2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ ACHE P22303 4/20 0.41
▸ NPY5R Q15761 5/20 0.39
▸ PTGDR2 Q9Y5Y4 3/20 0.39
▸ PKM P14618 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ PI4KA P42356 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL27045230 0.85 PTGS2 (0.53) VCPALDH1A1ACHEPTGDR2PTGS2
SCHEMBL27049017 0.83 ACHE (0.41) ALDH1A1HTTACHENPY5RPTGDR2
SCHEMBL27045229 0.83 ACHE (0.46) VCPALDH1A1HTTACHENPY5R
SCHEMBL27045227 0.80 ACHE (0.44) VCPALDH1A1ACHEPTGDR2PTGS2
SCHEMBL27045233 0.78 KMT2A (0.50) VCPALDH1A1HTTNPY5RALOX5
SCHEMBL27045226 0.76 ACHE (0.39) VCPALDH1A1HTTACHENPY5R
SCHEMBL27045236 0.76 PTGDR2 (0.42) ALDH1A1HTTPTGDR2PKMGAA
SCHEMBL27045812 0.74 EGLN2 (0.42) ALDH1A1HTTPTGDR2PKMPTGS2
SCHEMBL27045589 0.74 ALDH1A1 (0.41) ALDH1A1HTTPTGDR2PKMPTGS2
SCHEMBL27045699 0.70 PTGDR2 (0.43) ALDH1A1HTTPTGDR2PKM

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
EP-3846793-B1 EIF4E INHIBITORS AND USES THEREOF PIC THERAPEUTICS INC (US) 2024-01-24 — — EP disclosed
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