SCHEMBL15089227

SCHEMBL15089227

c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)N(c2cc(-c3ccccn3)ccn2)c2ccc(-c3ccccn3)c3cccc-4c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
COMT P21964 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL15089202 0.96 PDK2 (0.34) PDK2COMTKDM4EMEN1ALDH1A1
SCHEMBL15089179 0.92 MEN1 (0.37) PDK2KDM4EMEN1ALDH1A1MAPT
SCHEMBL15089101 0.91 PDK2 (0.34) PDK2
SCHEMBL15089220 0.85 PDK2 (0.30) PDK2
SCHEMBL15089008 0.84 PDK2 (0.35) PDK2COMTKDM4EMEN1ALDH1A1
SCHEMBL15089076 0.83 PDK2 (0.35) PDK2COMT
SCHEMBL15089044 0.83 CDK8 (0.32) MAPTHTT
SCHEMBL15089188 0.82
SCHEMBL15088987 0.79 HTR2C (0.33) PDK2
SCHEMBL15088998 0.79 MEN1 (0.38) PDK2KDM4EMEN1ALDH1A1MAPT

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