SCHEMBL15088804

SCHEMBL15088804

c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccccn2)N(c2ccccn2)c2cccc3c(-c5ccccc5)ccc-4c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
UHRF1 Q96T88 1/20 0.35
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
HBB P68871 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.33
S1PR4 O95977 1/20 0.33
POLB P06746 1/20 0.33
XBP1 P17861 1/20 0.33
S1PR1 P21453 1/20 0.33
CCR6 P51684 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
SCHEMBL15089215 0.91 MEN1 (0.37) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL15088822 0.91 CNR2 (0.38) MEN1KMT2ALMNAHPGDMAPT
SCHEMBL15088868 0.90 PIK3CA (0.37) PIK3CA
SCHEMBL15089293 0.89 PDE6D (0.42) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL15088869 0.88 PIK3CA (0.33) PIK3CA
SCHEMBL15088834 0.88 PIK3CA (0.37) LMNAALDH1A1MAPTMAPK1PIK3CA
SCHEMBL15088849 0.87 PDE6D (0.33) PDE6D
SCHEMBL15088823 0.87 PDE6D (0.30) PDE6D
SCHEMBL15088821 0.85 METAP1 (0.34) PIK3CA
SCHEMBL15089161 0.85 PDE6D (0.39) MEN1KMT2ALMNAHPGDALDH1A1

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