SCHEMBL3131098

SCHEMBL3131098

COc1ccc(C(N)c2cncnc2)cc1OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HIF1A Q16665 2/20 0.36
EPAS1 Q99814 2/20 0.36
FPR2 P25090 1/20 0.36
ATM Q13315 1/20 0.36
PDE4B Q07343 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL3129220 0.86 PDE4A (0.38) PDE4BBACE1
SCHEMBL3123548 0.85 F7 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL3117589 0.82 L3MBTL1 (0.44) L3MBTL1ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL3131094 0.80 PDE4A (0.47) PDE4B
SCHEMBL3131223 0.80 L3MBTL1 (0.40) L3MBTL1ALDH1A1GAAMAPTHPGD
SCHEMBL3123596 0.79 MAPT (0.48) L3MBTL1ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL3120994 0.79 L3MBTL1 (0.39) L3MBTL1ALDH1A1GAAMAPTHPGD
SCHEMBL3133557 0.78 PDE4A (0.51) PDE4B
SCHEMBL3133274 0.78 PDE4A (0.54) PDE4B
SCHEMBL3122747 0.77 PDE4B (0.47) L3MBTL1PDE4B

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-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed