SCHEMBL15089210

SCHEMBL15089210

c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccccn2)N(c2ccccn2)c2ccc(-c3ccccn3)c3cccc-4c23)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
HBB P68871 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK14 Q16539 1/20 0.36
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
S1PR4 O95977 1/20 0.34
POLB P06746 1/20 0.34
XBP1 P17861 1/20 0.34
S1PR1 P21453 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL15089172 0.91 CNR2 (0.39) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL15089171 0.90 COMT (0.33) MAPK14IRAK4CNR2
SCHEMBL15089173 0.89 MAPK14 (0.35) MAPTMAPK14IRAK4CNR2NPY5R
SCHEMBL15089178 0.87 MAPK14 (0.33) MAPTMAPK14IRAK4CNR2NPY5R
SCHEMBL15089148 0.87 CYP2A6 (0.37) MAPTMAPK14CNR2
SCHEMBL15089198 0.86 COMT (0.32) MAPK14
SCHEMBL15089243 0.86 KDM4E (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL15089215 0.86 MEN1 (0.37) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL15089217 0.85 METAP1 (0.33) MAPK14IRAK4NPY5R
SCHEMBL15089197 0.84 MAPK14 (0.35) MAPK14IRAK4PDK2CNR2NPY5R

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