SCHEMBL13788818

SCHEMBL13788818

CC(=O)c1ccccc1NC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
ELANE P08246 1/20 0.48
PRTN3 P24158 1/20 0.48
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
CNR2 P34972 1/20 0.44
IDO1 P14902 1/20 0.43
POLB P06746 3/20 0.42
CYP2C19 P33261 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
CXCR2 P25025 1/20 0.40
AKR1B10 O60218 1/20 0.40

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
SCHEMBL1906473 0.84 CLCN2 (0.53) AKR1C3AKR1C2CYP2C19KDM4ELMNA
SCHEMBL7223232 0.82 KDM4E (0.54) POLBKDM4E
SCHEMBL769767 0.79 ELANE (0.51) PDK2ELANEPRTN3IDO1L3MBTL1
SCHEMBL8818967 0.79 KMT2A (0.58) PDK1PDK2PDK3PDK4ELANE
SCHEMBL25449209 0.79 AKR1C3 (0.66) PDK1PDK2PDK3PDK4AKR1C3
SCHEMBL848499 0.77 POLB (0.64) PDK1PDK2PDK3PDK4AKR1C3
SCHEMBL31087257 0.77 POLB (0.64) PDK1PDK2PDK3PDK4AKR1C3
SCHEMBL522766 0.77 AKR1C3 (0.50) PDK1PDK2PDK3PDK4AKR1C3
SCHEMBL7363965 0.77 AKR1C3 (0.50) PDK1PDK2PDK3PDK4ELANE
SCHEMBL27900539 0.77 AKR1C3 (0.50) PDK1PDK2PDK3PDK4AKR1C3

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-7560565-B2 Method for preparing derivatives of 3-hydroxypicolinic acid BAYER CROPSCIENCE SA (FR) 2009-07-14 US disclosed