SCHEMBL15089081

SCHEMBL15089081

c1ccc(-c2ccc3c(c2)c2c4c(ccc2n3-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)-c2ccc(-c3ccccc3)c3cccc(c23)N4c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.36
RAB9A P51151 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
MAPT P10636 2/20 0.32
HIF1A Q16665 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PPP1CA P62136 1/20 0.32
TSHR P16473 3/20 0.31
LMNA P02545 3/20 0.31
HSD17B10 Q99714 2/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 2/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL15088936 0.91 GRM5 (0.36) GRM5RAB9ATDP1MAPTHIF1A
SCHEMBL15089069 0.90 PDE6D (0.33) PDE6D
SCHEMBL15088948 0.88 GRM5 (0.35) GRM5
SCHEMBL15088947 0.88 PDE6D (0.33) TDP1MAPTL3MBTL1HPGDMAPK1
SCHEMBL15089071 0.86 CNR2 (0.36) GRM5MAPTPDE6D
SCHEMBL15088935 0.86 METAP1 (0.32) GRM5METAP1
SCHEMBL15088958 0.85 METAP1 (0.32) METAP1
SCHEMBL15088937 0.85 GRM5 (0.33) GRM5PDE6D
SCHEMBL15088956 0.84 MAPT (0.34) GRM5RAB9ATDP1MAPTHIF1A
SCHEMBL15088967 0.84 GRM5 (0.32) GRM5MAPT

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