SCHEMBL16735603

SCHEMBL16735603

N#CCCN(Cc1ccco1)C(=O)c1cc2ncccc2cc1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.44
▸ ALDH1A1 P00352 6/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ THRB P10828 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
SCHEMBL2143809 0.82 EGLN1 (0.49) TSHRALDH1A1LMNAKDM4EMAPT
SCHEMBL16735589 0.81 HSP90AA1 (0.52) TSHRALDH1A1LMNAKDM4EMAPT
SCHEMBL16735594 0.76 MEN1 (0.42) ALDH1A1KDM4EMAPT
SCHEMBL15327100 0.72 HPGD (0.60) TSHRALDH1A1LMNAKDM4EMAPT
SCHEMBL16735660 0.71 L3MBTL1 (0.54) TSHRALDH1A1NPSR1
SCHEMBL16735648 0.67 HSP90AA1 (0.43) ALDH1A1TP53
SCHEMBL16735626 0.66 PDK1 (0.46) TP53
SCHEMBL16735621 0.66 TP53 (0.43) ALDH1A1LMNATP53
SCHEMBL14973878 0.66 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EMAPTCA12
SCHEMBL16735575 0.65 HSP90AA1 (0.58) ALDH1A1HPGD

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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