SCHEMBL15089251

SCHEMBL15089251

c1ccc(-c2ccnc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3cc(-c4ccccn4)ccc3n5-c3ccccc3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.34
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
DHFR P00374 1/20 0.31
GRM5 P41594 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPP1CA P62136 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL15089070 0.95 PDE6D (0.33) PDE6DCYP1A2MAPTCYP2C9CYP2C19
SCHEMBL15089246 0.93 PDE6D (0.35) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089206 0.93 PDE6D (0.39) PDE6DMAPTKMT2ANPSR1
SCHEMBL15089247 0.90 PDE6D (0.35) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089133 0.89 PDE6D (0.35) PDE6DMAPTKMT2ANPSR1
SCHEMBL15089024 0.89 PDE6D (0.39) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089239 0.88 PDE6D (0.44) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089038 0.88 PDE6D (0.34) PDE6DIRAK4
SCHEMBL15089358 0.88 PDE6D (0.39) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089059 0.87 PDE6D (0.45) PDE6DHTR1AHTR7DHFRGRM5

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