SCHEMBL16613738

SCHEMBL16613738

c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5ccccc54)nc4ccsc34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
MAPT P10636 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADORA2A P29274 2/20 0.35
ATM Q13315 1/20 0.35
PDE5A O76074 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL16613601 0.90 KDM4E (0.42) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL16613606 0.87 ALDH1A1 (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL16613737 0.85 MAPT (0.36) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL16613727 0.85 MAPT (0.36) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL16613607 0.84 MAPT (0.36) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL16613645 0.83 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL12014855 0.83 ALDH1A1 (0.49) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL16613657 0.81 ADORA2A (0.48) PDE4BMAPTALDH1A1KDM4EHPGD
SCHEMBL29694525 0.79 L3MBTL1 (0.48) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL8819021 0.79 L3MBTL1 (0.48) MAPTALDH1A1KDM4EHPGDNPSR1

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed