SCHEMBL4416340

SCHEMBL4416340

Nc1ccc(CCCCCn2c(Cc3cccnc3)nc3c(=O)[nH]c(=O)[nH]c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 7/20 0.39
▸ PNP P00491 1/20 0.38
▸ HRH1 P35367 2/20 0.36
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RGS12 O14924 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TBXAS1 P24557 5/20 0.33
▸ MPO P05164 1/20 0.33
▸ NOD1 Q9Y239 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
SCHEMBL4416313 0.88 CYP19A1 (0.37) PLA2G7MAPTKMT2A
SCHEMBL4416381 0.81 GAA (0.39) PNPMAPTKDM4EMEN1RGS12
SCHEMBL5567623 0.80 MEN1 (0.31) MAPTKDM4EMEN1RGS12USP2
SCHEMBL5132986 0.73 USP2 (0.39) PLA2G7MAPTKDM4EMEN1RGS12
SCHEMBL4414439 0.70 POLB (0.37) PNPMEN1USP2KMT2A
SCHEMBL4419731 0.64 TSHR (0.44) MAPTKDM4EMEN1RGS12USP2
SCHEMBL78082 0.63 CHRNA7 (0.68) HRH1
SCHEMBL257969 0.63 CHRNA7 (0.57) TBXAS1
SCHEMBL3232073 0.61 MMP2 (0.48) PLA2G7PNPMAPTKDM4EMEN1
SCHEMBL17186617 0.60 PNP (0.63) PNPUSP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601649-A4 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA INC (US) 2009-03-04 — — EP claimed
EP-1601649-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea Inc. (US) 2005-12-07 — — EP claimed
WO-2004074247-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2004-09-02 — — WO claimed
EP-1601649-A4 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA INC (US) 2009-03-04 — — EP disclosed
EP-1601649-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea Inc. (US) 2005-12-07 — — EP disclosed
WO-2004074247-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2004-09-02 — — WO disclosed
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