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SCHEMBL18040318

SCHEMBL18040318

CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(N=Nc3ccc(N4CCc5c(C(=O)OCC)nn(-c6ccc(OC)cc6)c5C4=O)cc3)cc1)C2=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.61
▸ F2 P00734 4/20 0.61
▸ SLC29A1 Q99808 1/20 0.58
▸ PDE4A P27815 3/20 0.56
▸ PDE4B Q07343 3/20 0.56
▸ PDE4C Q08493 3/20 0.56
▸ PDE4D Q08499 3/20 0.56
▸ CCNA2 P20248 1/20 0.55
▸ CDK2 P24941 1/20 0.55
▸ CCNA1 P78396 1/20 0.55

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
SCHEMBL18040316 1.00 F10 (0.61) F10F2SLC29A1PDE4APDE4B
SCHEMBL18058755 1.00 F10 (0.61) F10F2SLC29A1PDE4APDE4B
SCHEMBL20100168 0.93 PDE4A (0.63) F10F2SLC29A1PDE4APDE4B
SCHEMBL16948138 0.91 F10 (0.64) F10F2SLC29A1PDE4APDE4B
SCHEMBL5307046 0.90 F10 (0.67) F10F2SLC29A1PDE4APDE4B
SCHEMBL2000886 0.90 F10 (0.63) F10F2SLC29A1PDE4APDE4B
SCHEMBL15731769 0.90 F10 (0.67) F10F2SLC29A1PDE4APDE4B
SCHEMBL18660272 0.90 F10 (0.62) F10F2SLC29A1PDE4APDE4B
SCHEMBL1995178 0.90 F10 (0.62) F10F2SLC29A1PDE4APDE4B
SCHEMBL17572367 0.89 F10 (0.61) F10F2SLC29A1PDE4APDE4B

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-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