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Sugi Predict / Compounds / SCHEMBL15089358

SCHEMBL15089358

SCHEMBL15089358

c1ccc(-c2cccc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3cc(-c4ccccn4)ccc3n5-c3ccccc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.39
▸ GRM5 P41594 14/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ DHFR P00374 1/20 0.35
▸ MAPK14 Q16539 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31

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
SCHEMBL15089040 0.98 PDE6D (0.39) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15089360 0.96 PDE6D (0.35) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15089032 0.95 PDE6D (0.35) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15088813 0.95 PDE6D (0.38) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15089239 0.95 PDE6D (0.44) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15089059 0.94 PDE6D (0.45) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15089024 0.94 PDE6D (0.39) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15089357 0.91 PDE6D (0.36) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15088836 0.91 GRM5 (0.33) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15089254 0.91 GRM5 (0.35) PDE6DGRM5HTR1AHTR7DHFR

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
WO-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 — — WO disclosed