SCHEMBL3263148

SCHEMBL3263148

CCOc1n[nH]c(C)c1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
HCAR2 Q8TDS4 2/20 0.38
PDE4D Q08499 1/20 0.36
MAPK1 P28482 4/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SGK1 O00141 5/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TTR P02766 1/20 0.31
GAA P10253 1/20 0.30
DYRK1A Q13627 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
SCHEMBL17156157 0.79 LRRK2 (0.46) LRRK2PDE4DMAPK1KMT2AHSD17B10
SCHEMBL3263200 0.75 LRRK2 (0.46) LRRK2HCAR2PDE4DMAPK1KMT2A
SCHEMBL3261441 0.75 LRRK2 (0.46) LRRK2PDE4DMAPK1KMT2AHSD17B10
SCHEMBL2724008 0.75 LRRK2 (0.46) LRRK2PDE4DMAPK1KMT2AHSD17B10
SCHEMBL16402355 0.72 LRRK2 (0.44) LRRK2PDE4DMAPK1KMT2AHSD17B10
SCHEMBL17156270 0.71 HSD17B10 (0.43) LRRK2PDE4DMAPK1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL16402448 0.71 LRRK2 (0.42) LRRK2PDE4DMAPK1KMT2AHSD17B10
SCHEMBL3260996 0.68 PDE4D (0.69) LRRK2PDE4DMAPK1KMT2AHTT
SCHEMBL4269650 0.68 LRRK2 (0.40) LRRK2KDM4E
SCHEMBL3263505 0.68 LRRK2 (0.40) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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