SCHEMBL3262218

SCHEMBL3262218

Cc1nn(-c2ccccc2)c(OC(C)C)c1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 2/20 0.43
MAPT P10636 5/20 0.43
GAA P10253 4/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.41
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MPO P05164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
BCL2 P10415 1/20 0.39
MDM2 Q00987 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL3264256 0.85 GAA (0.41) LMNAMAPTGAATP53SMN1; SMN2
SCHEMBL3264571 0.84 RAB9A (0.42) NPSR1LMNAMAPTTP53SMN1; SMN2
SCHEMBL3265133 0.81 NPSR1 (0.45) NPSR1LMNAMAPTGAATP53
SCHEMBL3387691 0.80 SMN1; SMN2 (0.56) NPSR1LMNAMAPTGAATP53
SCHEMBL3261663 0.75 NPSR1 (0.45) NPSR1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL3264193 0.75 MAPT (0.50) NPSR1LMNAMAPTGAATP53
SCHEMBL17787695 0.74 SMN1; SMN2 (0.61) NPSR1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL28736515 0.71 SMN1; SMN2 (0.62) NPSR1LMNAMAPTTP53SMN1; SMN2
SCHEMBL3262684 0.71 PDE5A (0.30)
SCHEMBL9162850 0.69 BCL2 (0.47) NPSR1MAPTGAATP53SMN1; SMN2

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