SCHEMBL3264193

SCHEMBL3264193

Cc1nn(-c2ccccc2)c(OC(C)C)c1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
GAA P10253 6/20 0.50
TP53 P04637 4/20 0.50
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
RAB9A P51151 5/20 0.47
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44
VDR P11473 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
BCL2 P10415 1/20 0.42
MDM2 Q00987 1/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL3387691 0.90 SMN1; SMN2 (0.56) MAPTGAATP53NPC1SMN1; SMN2
SCHEMBL3393032 0.79 ATM (0.46) MAPTGAATP53NPC1SMN1; SMN2
SCHEMBL31500065 0.76 NPC1 (0.56) MAPTGAATP53NPC1SMN1; SMN2
SCHEMBL3264256 0.75 GAA (0.41) MAPTGAATP53NPC1SMN1; SMN2
SCHEMBL3261589 0.75 MAPT (0.43) MAPTGAATP53NPC1SMN1; SMN2
SCHEMBL3262218 0.75 NPSR1 (0.49) MAPTGAATP53NPC1SMN1; SMN2
SCHEMBL3265133 0.75 NPSR1 (0.45) MAPTGAATP53NPC1SMN1; SMN2
SCHEMBL27861242 0.74 SMN1; SMN2 (0.65) MAPTTP53NPC1SMN1; SMN2RAB9A
SCHEMBL4191056 0.69 GAA (0.55) MAPTGAATP53NPC1SMN1; SMN2
SCHEMBL3385375 0.68 RAB9A (0.45) MAPTNPC1SMN1; SMN2RAB9APOLB

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-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed