SCHEMBL1116039

SCHEMBL1116039

COc1ccc(-c2ccc(C=C3N=C(N)N(C)C3=O)o2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ POLB P06746 4/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CLK1 P49759 2/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ DYRK2 Q92630 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ DYRK3 O43781 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ LTB4R Q15722 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ DYRK4 Q9NR20 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL1116038 1.00 MAPT (0.41) MAPTMEN1KMT2APOLBCYP1A2
SCHEMBL6858741 0.84 CLK1 (0.41) MAPTMEN1KMT2APOLBCLK1
SCHEMBL1116042 0.80 PIK3CG (0.40) MAPTMEN1KMT2ACLK1CLK2
SCHEMBL6859235 0.80 PIK3CG (0.40) MAPTMEN1KMT2ACLK1CLK2
SCHEMBL1116044 0.80 PIK3CG (0.40) MAPTMEN1KMT2ACLK1CLK2
SCHEMBL1116160 0.80 HTR2A (0.60) MAPTMEN1KMT2APOLBCLK1
SCHEMBL1116164 0.80 HTR2A (0.60) MAPTMEN1KMT2APOLBCLK1
SCHEMBL1228108 0.78 HTRA2 (0.55) MAPTMEN1KMT2APOLBCLK1
SCHEMBL1228111 0.78 HTRA2 (0.55) MAPTMEN1KMT2APOLBCLK1
SCHEMBL1116259 0.77 CLK1 (0.38) MAPTMEN1KMT2APOLBCYP1A2

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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