SCHEMBL18058766

SCHEMBL18058766

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.32
▸ MAPT P10636 7/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ LGMN Q99538 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL20102796 0.89 NR3C2 (0.31) —
SCHEMBL18040314 0.87 MAPT (0.37) AKR1C3MAPTMEN1KMT2AALDH1A1
SCHEMBL18040317 0.87 MAPT (0.37) AKR1C3MAPTMEN1KMT2AALDH1A1
SCHEMBL20694863 0.83 GSK3B (0.39) —
SCHEMBL18058748 0.83 GSK3B (0.39) —
SCHEMBL18058838 0.82 MEN1 (0.36) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL18058759 0.81 S100A4 (0.34) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL20709642 0.80 MAPT (0.32) AKR1C3MAPTMEN1KMT2AKDM4E
SCHEMBL1995413 0.80 MAPT (0.50) AKR1C3MAPTMEN1KMT2AALDH1A1
SCHEMBL15731795 0.78 PIK3R1 (0.39) MAPTMEN1KMT2AALDH1A1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017013079-A1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2017-01-26 — — WO disclosed
EP-3064497-A1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2016-09-07 — — EP disclosed
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