SCHEMBL15089077

SCHEMBL15089077

c1ccc(N2c3cc4c(cc3-c3cccc5cccc2c35)c2cc(-c3ccncc3)ccc2n4-c2ccccn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
PDE6D O43924 1/20 0.36
CASP1 P29466 2/20 0.34
CASP7 P55210 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
PIK3CA P42336 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL15089293 0.94 PDE6D (0.42) KDM4EALDH1A1GAAPDE6DCASP1
SCHEMBL15089215 0.89 MEN1 (0.37) KDM4EALDH1A1GAACASP1MEN1
SCHEMBL15089136 0.88 PDE6D (0.43) KDM4EALDH1A1GAAPDE6DCASP1
SCHEMBL15088786 0.88 PDE6D (0.38) KDM4EALDH1A1GAAPDE6DCASP1
SCHEMBL15089161 0.88 PDE6D (0.39) KDM4EALDH1A1GAAPDE6DCASP1
SCHEMBL15089157 0.88 PDE6D (0.36) KDM4EALDH1A1GAAPDE6DCASP1
SCHEMBL15089144 0.87 PDE6D (0.37) KDM4EALDH1A1GAAPDE6DCASP1
SCHEMBL15088906 0.87 KDM4E (0.46) KDM4EALDH1A1GAAPDE6DCASP1
SCHEMBL15089160 0.86 PDE6D (0.39) KDM4EALDH1A1GAAPDE6DCASP1
SCHEMBL15089286 0.86 PDE6D (0.40) KDM4EALDH1A1GAAPDE6DCASP1

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