SCHEMBL15089345

SCHEMBL15089345

c1cncc(-c2ccc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc(c34)N5c3cccnc3)nc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
G6PD P11413 1/20 0.33
MAPK14 Q16539 1/20 0.33
GFER P55789 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE6D O43924 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP11B1 P15538 3/20 0.31
CYP2A6 P11509 1/20 0.31
CYP11B2 P19099 2/20 0.30
CYP17A1 P05093 1/20 0.30
CYP19A1 P11511 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
SCHEMBL15089308 0.97 HTT (0.37) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089279 0.96 PDE6D (0.37) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089062 0.92 MAPT (0.38) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089309 0.90 HTT (0.38) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089289 0.90 PDE6D (0.42) PDE6D
SCHEMBL15089304 0.89 HTT (0.42) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089344 0.87 PDE6D (0.42) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089323 0.87 HTT (0.44) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15088853 0.87 HTT (0.44) HTTMAPTGAAMAPK1HSD17B10
SCHEMBL15089321 0.86 MAPT (0.36) HTTMAPTGAAMAPK1HSD17B10

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