SCHEMBL10119241

SCHEMBL10119241

CC(=O)Nc1cc(N(CCO)CCO)ccc1/N=N/c1c(C#N)cc(N)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
MMP14 P50281 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
STK4 Q13043 1/20 0.32
HTT P42858 2/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 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
SCHEMBL622515 0.87 HTT (0.44) NPC1MAPTTDP1MEN1LMNA
SCHEMBL622516 0.87 HTT (0.44) NPC1MAPTTDP1MEN1LMNA
SCHEMBL22004959 0.86 MAPT (0.39) NPC1MAPTRAB9ASTK4HTT
SCHEMBL626835 0.86 MAPT (0.33) NPC1MAPTTDP1MEN1LMNA
SCHEMBL626834 0.86 MAPT (0.33) NPC1MAPTTDP1MEN1LMNA
SCHEMBL13475206 0.82 HTT (0.34) NPC1MAPTTDP1MEN1LMNA
SCHEMBL622281 0.81 HTT (0.41) NPC1MAPTTDP1MEN1LMNA
SCHEMBL622280 0.81 HTT (0.41) NPC1MAPTTDP1MEN1LMNA
SCHEMBL12344193 0.79 MAPT (0.37) NPC1MAPTTDP1MEN1LMNA
SCHEMBL7768502 0.77 CA12 (0.36) MAPTMEN1LMNAPOLBKMT2A

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-2012019704-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2012-02-16 WO disclosed