SCHEMBL19486808

SCHEMBL19486808

c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6ccc7cccnc7c6n5)c4)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.35
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
NTSR1 P30989 1/20 0.33
PTGER4 P35408 1/20 0.33
PTK2B Q14289 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPY5R Q15761 2/20 0.32
PDE4A P27815 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
LMNA P02545 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
SCHEMBL19486570 0.95 TOP1 (0.36) TOP1KDM4EKMT2AMAPTALDH1A1
SCHEMBL19486886 0.91 TOP1 (0.35) TOP1KDM4EATML3MBTL1KMT2A
SCHEMBL17853505 0.90 TOP1 (0.40) TOP1KDM4EATML3MBTL1KMT2A
SCHEMBL17853637 0.88 TOP1 (0.39) TOP1KDM4EL3MBTL1KMT2AMAPT
SCHEMBL19486642 0.86 TOP1 (0.34) TOP1KDM4EATML3MBTL1KMT2A
SCHEMBL15887826 0.86 KDM4E (0.46) KDM4EATML3MBTL1KMT2AMAPT
SCHEMBL19486651 0.86 TOP1 (0.36) TOP1KDM4EKMT2AMAPTALDH1A1
SCHEMBL19486650 0.85 TOP1 (0.41) TOP1KDM4EL3MBTL1KMT2AMAPT
SCHEMBL15394857 0.85 KDM4E (0.45) KDM4EATML3MBTL1KMT2AMAPT
SCHEMBL17228035 0.85 KDM4E (0.45) KDM4EATML3MBTL1KMT2AMAPT

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-2017179809-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-10-19 WO disclosed