SCHEMBL16735673

SCHEMBL16735673

Cc1cccc2c1N(C(=O)c1cc3ncccc3cc1O)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 8/20 0.49
▸ PDK2 Q15119 8/20 0.49
▸ PDK3 Q15120 8/20 0.49
▸ PDK4 Q16654 8/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 2/20 0.39
▸ GPBAR1 Q8TDU6 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL16735633 0.88 PDK1 (0.41) PDK1PDK2PDK3PDK4LMNA
SCHEMBL16735561 0.88 PDK1 (0.48) PDK1PDK2PDK3PDK4LMNA
SCHEMBL16735623 0.88 SCD5 (0.44) PDK1PDK2PDK3PDK4LMNA
SCHEMBL16735598 0.87 PDK1 (0.43) PDK1PDK2PDK3PDK4GPBAR1
SCHEMBL16735632 0.87 PDK1 (0.43) PDK1PDK2PDK3PDK4LMNA
SCHEMBL16735666 0.83 LMNA (0.53) PDK1PDK2PDK3PDK4LMNA
SCHEMBL16735668 0.82 PDK1 (0.51) PDK1PDK2PDK3PDK4LMNA
SCHEMBL16735572 0.78 PDK1 (0.51) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL16735601 0.78 PDK1 (0.62) PDK1PDK2PDK3PDK4
SCHEMBL16735643 0.76 LMNA (0.53) PDK1PDK2PDK3PDK4L3MBTL1

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
EP-2519505-B1 TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF POLICHEM SA (LU) 2015-05-27 — — EP claimed
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