SCHEMBL20694863

SCHEMBL20694863

O=C1C(N2CCOCC2)=CCCN1c1ccc(/N=N\c2ccc(N3CCC=C(N4CCOCC4)C3=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.39
▸ EP300 Q09472 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ S100A4 P26447 2/20 0.35
▸ RAD51 Q06609 1/20 0.35

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
SCHEMBL18058748 1.00 GSK3B (0.39) GSK3BEP300KAT2BS100A4RAD51
SCHEMBL18058838 0.90 MEN1 (0.36) EP300KAT2BS100A4RAD51
SCHEMBL18058759 0.89 S100A4 (0.34) EP300KAT2BS100A4RAD51
SCHEMBL20102793 0.88 GSK3B (0.35) GSK3B
SCHEMBL15731795 0.86 PIK3R1 (0.39) EP300KAT2BRAD51
SCHEMBL18410353 0.86 GSK3B (0.34) GSK3B
SCHEMBL1919863 0.84 AKR1C3 (0.44) EP300KAT2BRAD51
SCHEMBL17576245 0.84 AKR1C3 (0.44) —
SCHEMBL29483984 0.84 RAD51 (0.51) RAD51
SCHEMBL6330031 0.84 KMT2A (0.49) RAD51

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-3280714-B1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM FIS FABBRICA ITALIANA SINTETICI SPA (IT) 2019-02-06 — — EP claimed
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