SCHEMBL15088916

SCHEMBL15088916

c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccnc2)cc(N2c3cc4c(cc3-c3cccc5cccc2c35)c2ccccc2n4-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cccnc3)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 3/20 0.37
METAP2 P50579 3/20 0.37
GFER P55789 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE6D O43924 1/20 0.34
CYP11B1 P15538 2/20 0.33
MDM2 Q00987 1/20 0.32
MAPK14 Q16539 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B2 P19099 1/20 0.32
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL15089270 0.98 PDE6D (0.38) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089142 0.97 MAPT (0.36) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089146 0.96 PDE6D (0.38) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089066 0.93 GRM5 (0.35) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089292 0.92 HTT (0.41) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089254 0.91 GRM5 (0.35) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15088921 0.90 HTT (0.45) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15089154 0.90 HTT (0.41) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL15088912 0.89 PDE6D (0.41) HTTPDE6DKDM4EALDH1A1
SCHEMBL15088850 0.89 CYP1A2 (0.36) MAPTCYP1A2METAP2CYP11B1MDM2

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