SCHEMBL1116221

SCHEMBL1116221

COc1ncc(-c2ccc(/C=C3/N=C(N)NC3=O)o2)c(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.41
▸ CA2 P00918 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ PIK3CG P48736 4/20 0.36
▸ FAAH O00519 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ DYRK3 O43781 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2B P67870 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CSNK2A3 Q8NEV1 1/20 0.34
▸ DYRK2 Q92630 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ QPCT Q16769 1/20 0.34
▸ QPCTL Q9NXS2 1/20 0.34

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
SCHEMBL1116224 1.00 HTR2A (0.41) HTR2ACA2CA1CLK1CLK2
SCHEMBL1116163 0.81 HTR2A (0.42) HTR2ACA2CA1CLK1CLK2
SCHEMBL1116161 0.81 HTR2A (0.42) HTR2ACA2CA1CLK1CLK2
SCHEMBL6858213 0.78 GSK3B (0.39) PIK3CGFAAHCES1QPCTQPCTL
SCHEMBL1116268 0.76 ALDH1A1 (0.43) PIK3CGFAAHCES1QPCTQPCTL
SCHEMBL1116164 0.75 HTR2A (0.60) HTR2ACA2CA1CLK1CLK2
SCHEMBL12899354 0.75 HTR2A (0.50) HTR2ACA2CA1CLK1CLK2
SCHEMBL1116160 0.75 HTR2A (0.60) HTR2ACA2CA1CLK1CLK2
SCHEMBL1116262 0.75 HTR2A (0.54) HTR2ACA2CA1CLK1CLK2
SCHEMBL1116264 0.75 HTR2A (0.54) HTR2ACA2CA1CLK1CLK2

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 3 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
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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