SCHEMBL16735599

SCHEMBL16735599

CN(Cc1ccc(Br)cc1)C(=O)c1cc2ncccc2cc1O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 8/20 0.51
▸ HSP90AA1 P07900 9/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ PDK3 Q15120 1/20 0.46
▸ PDK4 Q16654 1/20 0.46
▸ RAB9A P51151 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL16735575 0.90 HSP90AA1 (0.58) PDK1HSP90AA1PDK2PDK3PDK4
SCHEMBL16735657 0.89 PDK1 (0.49) PDK1HSP90AA1PDK2PDK3PDK4
SCHEMBL16735588 0.89 HSP90AA1 (0.52) PDK1HSP90AA1PDK2PDK3PDK4
SCHEMBL16735641 0.89 PDK1 (0.51) PDK1HSP90AA1PDK2PDK3PDK4
SCHEMBL16735579 0.83 HSP90AA1 (0.45) PDK1HSP90AA1PDK2PDK3PDK4
SCHEMBL16735652 0.83 HSP90AA1 (0.46) PDK1HSP90AA1RAB9AHPGD
SCHEMBL16735621 0.82 TP53 (0.43) PDK1HSP90AA1RAB9ATP53RECQL
SCHEMBL16735648 0.80 HSP90AA1 (0.43) PDK1HSP90AA1RAB9ATP53RECQL
SCHEMBL16735589 0.79 HSP90AA1 (0.52) PDK1HSP90AA1PDK2PDK3PDK4
SCHEMBL2143813 0.78 ALDH1A1 (0.51) PDK1HPGD

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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