SCHEMBL15089046

SCHEMBL15089046

c1cc2c3c(cccc3c1)N(c1ccncc1)c1cc3c(cc1-2)c1cc(-c2ccncc2)ccc1n3-c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE6D O43924 1/20 0.39
KCNH2 Q12809 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PIK3CA P42336 3/20 0.31
PIK3CD O00329 2/20 0.31
PIK3CB P42338 2/20 0.31
MTOR P42345 2/20 0.31
PIK3CG P48736 2/20 0.31
DRD2 P14416 1/20 0.31
MEN1 O00255 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL15089260 0.96 PDE6D (0.46) KDM4EALDH1A1HPGDSMN1; SMN2PDE6D
SCHEMBL15089143 0.95 PDE6D (0.45) KDM4EALDH1A1HPGDSMN1; SMN2PDE6D
SCHEMBL15089355 0.89 PDE6D (0.37) KDM4EALDH1A1HPGDSMN1; SMN2PDE6D
SCHEMBL15089164 0.88 PIK3CA (0.34) PIK3CADRD2MEN1HSP90AA1MAPT
SCHEMBL15089256 0.88 PDE6D (0.38) KDM4EALDH1A1HPGDSMN1; SMN2PDE6D
SCHEMBL15088914 0.88 KDM4E (0.42) KDM4EALDH1A1HPGDSMN1; SMN2PDE6D
SCHEMBL15089338 0.88 PDE6D (0.50) KDM4EALDH1A1PDE6DPDE10AMEN1
SCHEMBL15089369 0.88 PDE6D (0.53) PDE6DMEN1KMT2A
SCHEMBL15089208 0.87 PDE6D (0.52) KDM4EALDH1A1PDE6DMEN1HSP90AA1
SCHEMBL15089244 0.86 PDE6D (0.36) KDM4EALDH1A1HPGDSMN1; SMN2PDE6D

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