SCHEMBL14070682

SCHEMBL14070682

COCCNCc1ccc(NNC(=O)C2Cc3ccccc3N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
PRKD1 Q15139 1/20 0.38
MASP2 O00187 1/20 0.37
F2 P00734 1/20 0.37
AKT1 P31749 1/20 0.37
CTSD P07339 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MCL1 Q07820 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33
CHEK1 O14757 1/20 0.33
SMYD3 Q9H7B4 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
SCHEMBL14029897 0.85 HPGD (0.46) GAAMAPTKDM4EALDH1A1
SCHEMBL22672935 0.78 GAA (0.62) GAAMAPTF2KDM4EALDH1A1
SCHEMBL22673172 0.76 GAA (0.48) GAAMAPTALDH1A1
SCHEMBL14070689 0.71 NAMPT (0.52) L3MBTL1KDM4EALDH1A1KMT2AMEN1
SCHEMBL26398036 0.70 GAA (0.51) GAAMAPTMASP2F2ALDH1A1
SCHEMBL19476512 0.69 GAA (0.60) GAAMAPTL3MBTL1MASP2F2
SCHEMBL19476118 0.69 GAA (0.60) GAAMAPTL3MBTL1MASP2F2
SCHEMBL14005168 0.68 NPC1 (0.50) GAAKDM4EALDH1A1
SCHEMBL3989086 0.67 GAA (0.65) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL13610792 0.67 GAA (0.65) GAAMAPTMASP2F2CTSD

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-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO disclosed