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SCHEMBL15089332

SCHEMBL15089332

c1ccc(-c2cc(-c3ccccn3)nc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc(c34)N5c3cccnc3)c2)nc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GFER P55789 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30
▸ METAP1 P53582 1/20 0.30
▸ GRM5 P41594 1/20 0.30

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
SCHEMBL15089340 0.93 METAP1 (0.34) METAP1
SCHEMBL15089306 0.91 MAPT (0.35) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL15089305 0.90 HTT (0.36) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL15089062 0.89 MAPT (0.38) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL15089320 0.89 HTT (0.36) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL15089282 0.88 MAPT (0.36) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL15089402 0.88 HTT (0.37) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL15089304 0.86 HTT (0.42) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL15089321 0.85 MAPT (0.36) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL15088920 0.84 MAPT (0.37) GAAMAPTMAPK1HTTHSD17B10

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