SCHEMBL16735685

SCHEMBL16735685

CC(c1ccccc1)N(C)C(=O)c1cc2ncccc2cc1O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.45
▸ PDK1 Q15118 8/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ TACR1 P25103 2/20 0.40
▸ MET P08581 1/20 0.40
▸ MTOR P42345 1/20 0.39
▸ LIMK2 P53671 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ RAB9A P51151 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 0.81 MAOB (0.47) PDK1LMNASMN1; SMN2MCL1TP53
SCHEMBL2143972 0.77 ALDH1A1 (0.57) EGLN1ALDH1A1TACR1TP53RAB9A
SCHEMBL2143980 0.77 ALDH1A1 (0.57) EGLN1ALDH1A1TACR1TP53RAB9A
SCHEMBL16735576 0.77 ALDH1A1 (0.56) ALDH1A1LMNATP53RAB9A
SCHEMBL16735575 0.77 HSP90AA1 (0.58) PDK1ALDH1A1
SCHEMBL12522399 0.77 ALDH1A1 (0.57) EGLN1ALDH1A1TACR1TP53RAB9A
SCHEMBL16735621 0.76 TP53 (0.43) PDK1ALDH1A1LMNASMN1; SMN2MCL1
SCHEMBL16735595 0.76 MET (0.54) PDK1ALDH1A1SMN1; SMN2MCL1MET
SCHEMBL16735606 0.75 PDK1 (0.47) PDK1MCL1TP53RECQLRAB9A
SCHEMBL28336465 0.74 MCL1 (0.66) EGLN1ALDH1A1LMNASMN1; SMN2MCL1

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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