SCHEMBL15089109

SCHEMBL15089109

c1ccc(-c2cc(-c3ccccn3)nc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3ccccc3n5-c3ccccn3)c2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 2/20 0.34
CASP7 P55210 1/20 0.34
MAPK14 Q16539 1/20 0.32
METAP1 P53582 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
NPY5R Q15761 1/20 0.31
HTR2C P28335 1/20 0.31
MCL1 Q07820 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
SCHEMBL15088908 0.96 METAP1 (0.34) KDM4EALDH1A1GAACASP1CASP7
SCHEMBL15089057 0.90 IRAK4 (0.32) KDM4EALDH1A1GAACASP1CASP7
SCHEMBL15088910 0.90 KDM4E (0.35) KDM4EALDH1A1GAACASP1CASP7
SCHEMBL15088826 0.89 PDE6D (0.36) KDM4EALDH1A1GAACASP1CASP7
SCHEMBL15089285 0.88 PDE6D (0.35) KDM4EALDH1A1GAAMETAP1NPY5R
SCHEMBL15088906 0.87 KDM4E (0.46) KDM4EALDH1A1GAACASP1CASP7
SCHEMBL15089135 0.87 KDM4E (0.40) KDM4EALDH1A1GAACASP1CASP7
SCHEMBL15089153 0.85 KDM4E (0.41) KDM4EALDH1A1GAACASP1CASP7
SCHEMBL15089111 0.85 KDM4E (0.33) KDM4EALDH1A1GAACASP1CASP7
SCHEMBL15089241 0.85 PDE6D (0.33) KDM4EALDH1A1GAACASP1CASP7

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