SCHEMBL3117907

SCHEMBL3117907

CCOc1ccc(C(N)c2cncnc2)cc1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
TNF P01375 1/20 0.38
HTT P42858 1/20 0.38
S1PR1 P21453 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PDE4B Q07343 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AOC3 Q16853 2/20 0.37
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL3123596 0.93 MAPT (0.48) ALDH1A1LMNASMN1; SMN2KDM4EGAA
SCHEMBL3117589 0.93 L3MBTL1 (0.44) ALDH1A1LMNASMN1; SMN2KDM4EGAA
SCHEMBL3123548 0.90 F7 (0.37) ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL3129614 0.89 PDE4B (0.40) ALDH1A1LMNAHTTKDM4EMAPT
SCHEMBL3129261 0.78 AAK1 (0.39) ALDH1A1LMNASMN1; SMN2TNFS1PR1
SCHEMBL3123524 0.78 PDE4D (0.49) ALDH1A1KDM4EGAAMAPTPDE4B
SCHEMBL3131168 0.77 SLC6A2 (0.40) ALDH1A1LMNASMN1; SMN2TNFHTT
SCHEMBL3122747 0.76 PDE4B (0.47) PDE4BL3MBTL1
SCHEMBL3200134 0.75 SLC6A2 (0.43) ALDH1A1LMNAKDM4EMAPTPDE4B
SCHEMBL623386 0.75 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2TNFHTT

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