SCHEMBL18058759

SCHEMBL18058759

C=Nc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 2/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ KAT2B Q92831 1/20 0.34
▸ RAD51 Q06609 1/20 0.34
▸ MEN1 O00255 6/20 0.33
▸ KMT2A Q03164 6/20 0.33
▸ MAPT P10636 4/20 0.33
▸ HTT P42858 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ GALK1 P51570 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33

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
SCHEMBL20694863 0.89 GSK3B (0.39) S100A4EP300KAT2BRAD51
SCHEMBL18058748 0.89 GSK3B (0.39) S100A4EP300KAT2BRAD51
SCHEMBL18058838 0.88 MEN1 (0.36) S100A4EP300KAT2BRAD51MEN1
SCHEMBL15731795 0.83 PIK3R1 (0.39) EP300KAT2BRAD51MEN1KMT2A
SCHEMBL6330031 0.82 KMT2A (0.49) RAD51MEN1KMT2AMAPTHTT
SCHEMBL29483984 0.82 RAD51 (0.51) RAD51MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17576245 0.82 AKR1C3 (0.44) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL1919863 0.82 AKR1C3 (0.44) EP300KAT2BRAD51MEN1KMT2A
SCHEMBL20050092 0.82 ALDH1A1 (0.42) EP300KAT2BMEN1KMT2AMAPT
SCHEMBL186752 0.82 LMNA (0.51) RAD51MEN1KMT2AMAPTHTT

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
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