SCHEMBL1116029

SCHEMBL1116029

COC(=O)c1ccc(OC)c(-c2ccc(C=C3N=C(N)NC3=O)o2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 4/20 0.49
▸ PIK3CA P42336 2/20 0.49
▸ HTR2A P28223 4/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CLK1 P49759 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ HSPD1 P10809 1/20 0.43
▸ HSPE1 P61604 1/20 0.43
▸ SLC1A3 P43003 1/20 0.41
▸ ESRRA P11474 2/20 0.38
▸ AURKA O14965 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL1116026 1.00 PIK3CG (0.49) PIK3CGPIK3CAHTR2ACA2CA1
SCHEMBL6858716 1.00 PIK3CG (0.49) PIK3CGPIK3CAHTR2ACA2CA1
SCHEMBL12899354 0.79 HTR2A (0.50) PIK3CGPIK3CAHTR2ACA2CA1
SCHEMBL1116160 0.79 HTR2A (0.60) PIK3CGHTR2ACA2CA1CLK1
SCHEMBL1116236 0.77 ALDH1A1 (0.56) PIK3CGPIK3CASLC1A3MAPTHPGD
SCHEMBL1116037 0.76 HTR2A (0.51) PIK3CGHTR2ACA2CA1CLK1
SCHEMBL1116040 0.76 HTR2A (0.51) PIK3CGHTR2ACA2CA1CLK1
SCHEMBL12900302 0.75 HTR2A (0.41) PIK3CGPIK3CAHTR2ACA2CA1
SCHEMBL1116163 0.73 HTR2A (0.42) PIK3CGPIK3CAHTR2ACA2CA1
SCHEMBL1116161 0.73 HTR2A (0.42) PIK3CGPIK3CAHTR2ACA2CA1

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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