SCHEMBL16735660

SCHEMBL16735660

O=C(c1cc2ncccc2cc1O)N(CCO)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ PDK1 Q15118 7/20 0.46
▸ CFTR P13569 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 3/20 0.45
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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 0.82 HSP90AA1 (0.58) PDK1ALDH1A1PDK2PDK3PDK4
SCHEMBL16735606 0.78 PDK1 (0.47) PDK1PDK2PDK3PDK4
SCHEMBL2143912 0.78 EGLN1 (0.57) L3MBTL1CFTRTSHRALDH1A1
SCHEMBL16735626 0.74 PDK1 (0.46) PDK1CYP3A4PDK2PDK3PDK4
SCHEMBL16735638 0.74 MAOB (0.47) L3MBTL1PDK1TSHRPDK2MEN1
SCHEMBL9804179 0.74 MAPT (0.54) L3MBTL1GAAALDH1A1MEN1KMT2A
SCHEMBL16735595 0.74 MET (0.54) PDK1CYP3A4TSHRALDH1A1KMT2A
SCHEMBL28336465 0.73 MCL1 (0.66) L3MBTL1CYP3A4TSHRALDH1A1MEN1
SCHEMBL16735588 0.73 HSP90AA1 (0.52) PDK1PDK2PDK3PDK4
SCHEMBL16735599 0.73 PDK1 (0.51) L3MBTL1PDK1PDK2PDK3PDK4

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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