SCHEMBL16735579

SCHEMBL16735579

CN(C(=O)c1cc2ncccc2cc1O)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.45
▸ HSP90AB1 P08238 1/20 0.45
▸ HTT P42858 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PDK2 Q15119 2/20 0.40
▸ PDK1 Q15118 3/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 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
SCHEMBL16735638 0.88 MAOB (0.47) HSP90AA1HSP90AB1MEN1KMT2AL3MBTL1
SCHEMBL16735654 0.88 HSP90AA1 (0.45) HSP90AA1HSP90AB1HTTCYP1A2CYP2C19
SCHEMBL16735574 0.85 HSP90AA1 (0.58) HSP90AA1HSP90AB1HTTCYP2C19ALDH1A1
SCHEMBL16735599 0.83 PDK1 (0.51) HSP90AA1L3MBTL1PDK2PDK1PDK3
SCHEMBL16735621 0.78 TP53 (0.43) HSP90AA1HTTCYP2C19ALDH1A1MEN1
SCHEMBL2143825 0.78 ALDH1A1 (0.55) ALDH1A1L3MBTL1
SCHEMBL16735657 0.77 PDK1 (0.49) HSP90AA1ALDH1A1PDK2PDK1PDK3
SCHEMBL16735648 0.76 HSP90AA1 (0.43) HSP90AA1HTTALDH1A1MEN1KMT2A
SCHEMBL16735652 0.75 HSP90AA1 (0.46) HSP90AA1PDK1RAB9ANPC1
SCHEMBL16735575 0.74 HSP90AA1 (0.58) HSP90AA1ALDH1A1MEN1KMT2APDK2

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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