SCHEMBL7697246

SCHEMBL7697246

Nc1cccc(-c2ccc3c(n2)-c2nc4nc5c(cc4cc2CC3)CCc2ccc(C(=O)O)nc2-5)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PADI1 Q9ULC6 1/20 0.42
PADI3 Q9ULW8 1/20 0.42
PADI4 Q9UM07 1/20 0.42
PADI2 Q9Y2J8 1/20 0.42
KDM4E B2RXH2 3/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ECE1 P42892 1/20 0.32
BCL2L1 Q07817 3/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 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
SCHEMBL7694342 0.81 ECE1 (0.36) PDE4APDE4BPDE4CPDE4DPADI1
Potassium SCHEMBL7262757 0.81 ECE1 (0.36) PDE4APDE4BPDE4CPDE4DPADI1
Potassium Ion SCHEMBL7262753 0.71 ADORA2A (0.31) ADORA2AADORA1
SCHEMBL6766149 0.69 KDM4E (0.36) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL221380 0.65 KDM4E (0.70) PDE4APDE4BPDE4CPDE4DPADI1
SCHEMBL29956648 0.65 KDM4E (0.70) PDE4APDE4BPDE4CPDE4DPADI1
SCHEMBL28053317 0.64 KDM4E (0.51) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL14610321 0.64 KDM4E (0.48) KDM4EALOX15TSHRACMSDTDP1
Hydrazine SCHEMBL28321699 0.64 KDM4E (0.67) PDE4APDE4BPDE4CPDE4DPADI1
SCHEMBL11907722 0.63 MAP2K3 (0.51) PDE4APDE4BPDE4CPDE4DPADI1

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-2002014465-A2 MULTICYCLIC AROMATIC COMPOUNDS AND USES THEREOF ROCHE DIAGNOSTICS CORPORATION (US) 2002-02-21 WO disclosed