SCHEMBL3263200

SCHEMBL3263200

CCOc1n[nH]c(C)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
HCAR2 Q8TDS4 1/20 0.38
PDE4D Q08499 1/20 0.36
CCR4 P51679 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SGK1 O00141 3/20 0.31
DYRK1A Q13627 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
GPR55 Q9Y2T6 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
SCHEMBL3263148 0.75 LRRK2 (0.46) LRRK2HCAR2PDE4DMEN1LMNA
SCHEMBL3261441 0.75 LRRK2 (0.46) LRRK2PDE4DMEN1LMNAMAPK1
SCHEMBL17156157 0.75 LRRK2 (0.46) LRRK2PDE4DMEN1LMNAMAPK1
SCHEMBL2724008 0.75 LRRK2 (0.46) LRRK2PDE4DMEN1LMNAMAPK1
SCHEMBL16402355 0.72 LRRK2 (0.44) LRRK2PDE4DMEN1LMNAMAPK1
SCHEMBL17479763 0.72 PRKAB2 (0.38) HCAR2PDE4DCCR4KMT2A
SCHEMBL17479557 0.71 KDM4C (0.45) PDE4DCCR4MEN1MAPK1HTT
Hydrochloric Acid SCHEMBL16402448 0.71 LRRK2 (0.42) LRRK2PDE4DMEN1LMNAMAPK1
SCHEMBL17156270 0.71 HSD17B10 (0.43) LRRK2PDE4DMEN1LMNAMAPK1
SCHEMBL17156341 0.70 MAPT (0.43) LRRK2MEN1LMNAMAPK1HTT

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 2 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