SCHEMBL3261292

SCHEMBL3261292

Cc1c(-c2cccnc2)c(OC(C)C)nn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
NAMPT P43490 1/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 1/20 0.38
USP8 P40818 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
GRM1 Q13255 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL3385375 0.88 RAB9A (0.45) ALDH1A1NPSR1NPC1RAB9AMAPT
SCHEMBL3263308 0.86 NPSR1 (0.40) ALDH1A1NPSR1NPC1RAB9AMAPT
SCHEMBL3393032 0.80 ATM (0.46) ALDH1A1L3MBTL1NPSR1NPC1RAB9A
SCHEMBL3260654 0.78 MAPT (0.50) ALDH1A1NPSR1NPC1RAB9AMAPT
SCHEMBL3264381 0.78 TRPM8 (0.43) ALDH1A1L3MBTL1NPSR1NPC1RAB9A
SCHEMBL19754144 0.74 GRM4 (0.51) ALDH1A1L3MBTL1NPSR1NPC1RAB9A
SCHEMBL3264346 0.73 KDM4E (0.43) ALDH1A1NPSR1NPC1RAB9AMAPT
SCHEMBL3261663 0.73 NPSR1 (0.45) ALDH1A1L3MBTL1NPSR1NPC1RAB9A
SCHEMBL3260789 0.73 NPSR1 (0.45) ALDH1A1L3MBTL1NPSR1NPC1RAB9A
SCHEMBL3391830 0.72 DHODH (0.38) ALDH1A1L3MBTL1NPSR1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed