SCHEMBL16735561

SCHEMBL16735561

O=C(c1cc2ncccc2cc1O)N1CCCc2cccc(Cl)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 5/20 0.48
▸ PDK2 Q15119 5/20 0.48
▸ PDK3 Q15120 5/20 0.48
▸ PDK4 Q16654 5/20 0.48
▸ GPBAR1 Q8TDU6 4/20 0.43
▸ NOTUM Q6P988 1/20 0.41
▸ SPR P35270 1/20 0.39
▸ DOT1L Q8TEK3 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ AVPR2 P30518 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM5B Q9UGL1 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
SCHEMBL16735673 0.88 PDK1 (0.49) PDK1PDK2PDK3PDK4GPBAR1
SCHEMBL16735623 0.88 SCD5 (0.44) PDK1PDK2PDK3PDK4GPBAR1
SCHEMBL16735633 0.88 PDK1 (0.41) PDK1PDK2PDK3PDK4GPBAR1
SCHEMBL16735632 0.85 PDK1 (0.43) PDK1PDK2PDK3PDK4GPBAR1
SCHEMBL16735598 0.85 PDK1 (0.43) PDK1PDK2PDK3PDK4GPBAR1
SCHEMBL16735666 0.83 LMNA (0.53) PDK1PDK2PDK3PDK4GPBAR1
SCHEMBL16735601 0.78 PDK1 (0.62) PDK1PDK2PDK3PDK4
SCHEMBL16735668 0.78 PDK1 (0.51) PDK1PDK2PDK3PDK4GPBAR1
SCHEMBL16735572 0.78 PDK1 (0.51) PDK1PDK2PDK3PDK4GPBAR1
SCHEMBL16735643 0.76 LMNA (0.53) PDK1PDK2PDK3PDK4SPR

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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