SCHEMBL15089172

SCHEMBL15089172

c1ccc(-c2ccc(N3c4cc5c(cc4-c4ccc(-c6ccccn6)c6cccc3c46)c3cc(-c4ccccn4)ccc3n5-c3ccc(-c4ccccn4)cn3)nc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
MAPT P10636 2/20 0.36
MAPK14 Q16539 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.32
PRMT5 O14744 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 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
AXL P30530 1/20 0.31
ACVR1B P36896 1/20 0.30
TGFBR1 P36897 1/20 0.30
PDE5A O76074 1/20 0.30
METAP2 P50579 1/20 0.30
CHEK2 O96017 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
SCHEMBL15089148 0.93 CYP2A6 (0.37) CNR2MAPTMAPK14
SCHEMBL15089178 0.92 MAPK14 (0.33) CNR2MAPTMAPK14IRAK4
SCHEMBL15088822 0.92 CNR2 (0.38) CNR2MAPTMAPK14MEN1KMT2A
SCHEMBL15089210 0.91 MEN1 (0.37) CNR2MAPTMAPK14IRAK4PRMT5
SCHEMBL15089060 0.91 MAPT (0.39) CNR2MAPTMAPK14IRAK4KDM4E
SCHEMBL15089243 0.89 KDM4E (0.40) CNR2MAPTMAPK14IRAK4KDM4E
SCHEMBL15089171 0.89 COMT (0.33) CNR2MAPK14IRAK4
SCHEMBL15089173 0.88 MAPK14 (0.35) CNR2MAPTMAPK14IRAK4PRMT5
SCHEMBL15088922 0.87 MAPT (0.39) CNR2MAPTMAPK14IRAK4KDM4E
SCHEMBL15089217 0.86 METAP1 (0.33) MAPK14IRAK4

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