SCHEMBL15089239

SCHEMBL15089239

c1ccc(-c2ccc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3cc(-c4ccccn4)ccc3n5-c3ccccc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.44
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
GRM5 P41594 7/20 0.33
DHFR P00374 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
MAPK14 Q16539 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL15089059 0.99 PDE6D (0.45) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15089024 0.97 PDE6D (0.39) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15089358 0.95 PDE6D (0.39) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15088813 0.94 PDE6D (0.38) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15089244 0.94 PDE6D (0.36) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15089040 0.94 PDE6D (0.39) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15089094 0.93 PDE6D (0.38) PDE6DHTR1AHTR7DHFRPIM1
SCHEMBL15089360 0.92 PDE6D (0.35) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15089032 0.91 PDE6D (0.35) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15089354 0.91 KDM4E (0.39) PDE6DHTR1AHTR7GRM5DHFR

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