SCHEMBL15089003

SCHEMBL15089003

CC1(C)c2ccccc2-c2cc3c(cc21)N(c1cccc(-c2ccc4c(c2)c2ccccc2n4-c2cccnc2)c1)c1cccc2cccc-3c12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
METAP2 P50579 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MDM2 Q00987 1/20 0.30
PDE6D O43924 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
SCHEMBL15088981 0.91 PDE6D (0.35) PDE6D
SCHEMBL15089226 0.89 CYP1A2 (0.32) CYP1A2METAP2GAAMAPTMAPK1
SCHEMBL15088916 0.86 MAPT (0.37) CYP1A2METAP2GAAMAPTMAPK1
SCHEMBL15089142 0.85 MAPT (0.36) CYP1A2METAP2GAAMAPTMAPK1
SCHEMBL15088991 0.85 PGR (0.33) MAPTMAPK1PDE6D
SCHEMBL15089007 0.84 HSD17B10 (0.44) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL15089146 0.84 PDE6D (0.38) CYP1A2METAP2GAAMAPTMAPK1
SCHEMBL15089270 0.84 PDE6D (0.38) CYP1A2METAP2GAAMAPTMAPK1
SCHEMBL15088828 0.83 PDE6D (0.34) PDE6D
SCHEMBL15089073 0.83 GAA (0.33) 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