SCHEMBL13638970

SCHEMBL13638970

COC[C@@H]1CN(c2ccc(N=O)c(C=O)c2)CCO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
LRRK2 Q5S007 4/20 0.35
ALDH1A1 P00352 2/20 0.35
PDK1 Q15118 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
FFAR2 O15552 1/20 0.35
WEE1 P30291 3/20 0.34
DRD4 P21917 4/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL13638876 0.82 DRD4 (0.49) DRD4GRM2
SCHEMBL26783813 0.71 CHEK1 (0.37) SYKLRRK2ALDH1A1PIK3CDPIK3CA
SCHEMBL20448415 0.70 PDK1 (0.43) SYKLRRK2PDK1FFAR2DRD4
SCHEMBL13638828 0.70 ALDH1A1 (0.42) SYKLRRK2ALDH1A1PDK1FFAR2
SCHEMBL23104507 0.69 LRRK2 (0.43) SYKLRRK2PDK1FFAR2WEE1
SCHEMBL23104773 0.69 LRRK2 (0.43) SYKLRRK2PDK1FFAR2WEE1
SCHEMBL24156928 0.69 LRRK2 (0.43) SYKLRRK2PDK1FFAR2WEE1
SCHEMBL23103879 0.69 POLB (0.58) SYKLRRK2PDK1FFAR2WEE1
SCHEMBL23089339 0.69 FFAR2 (0.44) SYKLRRK2PDK1PIK3CAFFAR2
SCHEMBL23114510 0.68 LRRK2 (0.42) SYKLRRK2PDK1FFAR2WEE1

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed