SCHEMBL15089256

SCHEMBL15089256

c1ccc(-n2c3ccc(-c4ccncc4)cc3c3cc4c(cc32)N(c2ncccn2)c2cccc3cccc-4c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.38
PIK3CA P42336 2/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR6 P50406 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
MEN1 O00255 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
GRM5 P41594 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
SCHEMBL15089137 0.95 PDE6D (0.42) PDE6DKDM4EALDH1A1
SCHEMBL15089143 0.89 PDE6D (0.45) PDE6DPIK3CAKDM4EALDH1A1HPGD
SCHEMBL15089264 0.89 PDE6D (0.41) PDE6DPIK3CAKDM4EALDH1A1
SCHEMBL15089260 0.88 PDE6D (0.46) PDE6DPIK3CAKDM4EALDH1A1HPGD
SCHEMBL15089046 0.88 KDM4E (0.40) PDE6DPIK3CAKDM4EALDH1A1HPGD
SCHEMBL15089355 0.88 PDE6D (0.37) PDE6DPIK3CAKDM4EALDH1A1HPGD
SCHEMBL15089124 0.87 KDM4E (0.40) PDE6DKDM4EALDH1A1HTR6
SCHEMBL15089206 0.87 PDE6D (0.39) PDE6DPIK3CGMAPTKMT2A
SCHEMBL15089356 0.86 PDE6D (0.34) PDE6DPIK3CAKDM4EALDH1A1SMN1; SMN2
SCHEMBL15089168 0.85 PDE6D (0.41) PDE6DPIK3CAKDM4EALDH1A1

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