SCHEMBL15089043

SCHEMBL15089043

c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)N(c2cccnc2)c2cccc3cccc-4c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
PDE6D O43924 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CDK8 P49336 1/20 0.30
TSHR P16473 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
SCHEMBL15089213 0.89 KDM4E (0.40) MAPTMAPK1PDE6DKDM4EMEN1
SCHEMBL15089228 0.85 CYP11B1 (0.35) HTTMAPTHSD17B10GAAMAPK1
SCHEMBL15089007 0.85 HSD17B10 (0.44) HTTMAPTHSD17B10GAAMAPK1
SCHEMBL15089226 0.85 CYP1A2 (0.32) HTTMAPTHSD17B10GAAMAPK1
SCHEMBL15089223 0.84 PDK2 (0.35) PDE6D
SCHEMBL15089189 0.83 PDE6D (0.51) MAPTPDE6DKDM4EMEN1LMNA
SCHEMBL15089044 0.82 CDK8 (0.32) HTTMAPTHSD17B10GAAMAPK1
SCHEMBL15089212 0.81 KDM4E (0.43) HTTMAPTGAAPDE6DKDM4E
SCHEMBL15089221 0.80 KDM4E (0.33) MAPTPDE6DKDM4EMEN1LMNA
SCHEMBL15089181 0.79 PDE6D (0.37) MAPTPDE6DKDM4EMEN1LMNA

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