SCHEMBL1116163

SCHEMBL1116163

COc1ncccc1-c1ccc(C=C2N=C(N)NC2=O)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.42
▸ PIK3CG P48736 4/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ BTK Q06187 1/20 0.39
▸ KMT2A Q03164 5/20 0.36
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ DYRK3 O43781 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
SCHEMBL1116161 1.00 HTR2A (0.42) HTR2APIK3CGCA2CA1CLK1
SCHEMBL1116224 0.81 HTR2A (0.41) HTR2APIK3CGCA2CA1CLK1
SCHEMBL1116221 0.81 HTR2A (0.41) HTR2APIK3CGCA2CA1CLK1
SCHEMBL1116169 0.81 CA2 (0.42) HTR2APIK3CGCA2CA1CLK1
SCHEMBL1116168 0.81 CA2 (0.42) HTR2APIK3CGCA2CA1CLK1
SCHEMBL1116258 0.80 CLK1 (0.38) PIK3CGCA2CA1CLK1CLK2
SCHEMBL1116259 0.80 CLK1 (0.38) PIK3CGCA2CA1CLK1CLK2
SCHEMBL6860968 0.77 GSK3A (0.44) PIK3CGBTKKMT2AMAPTMEN1
SCHEMBL1116164 0.77 HTR2A (0.60) HTR2APIK3CGCA2CA1CLK1
SCHEMBL1116160 0.77 HTR2A (0.60) HTR2APIK3CGCA2CA1CLK1

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-2011015646-A2 FURAN-IMIDAZOLONE DERIVATIVES, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2011-02-10 — — WO disclosed
EP-2281824-A1 Furan-imidazolone derivatives, for the treatment of cognitive, neurodegenerative or neuronal diseases or disorders NOSCIRA, S.A. (ES) 2011-02-09 — — EP disclosed
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