SCHEMBL14775769

SCHEMBL14775769

CC(=O)Nc1cc(OC(=O)O)c2cccnc2c1O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
TOP2A P11388 9/20 0.50
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
PDE4D Q08499 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HSP90AA1 P07900 1/20 0.42
ALOX12 P18054 1/20 0.42
NCOA3 Q9Y6Q9 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
SCHEMBL8342871 0.83 TP53 (0.61) ATMTOP2ATP53ALOX15MEN1
SCHEMBL14775768 0.81 KDM4E (0.60) ATMTOP2ATP53ALOX15MEN1
SCHEMBL14775787 0.80 TP53 (0.53) ATMTOP2ATP53ALOX15MEN1
SCHEMBL6955977 0.71 KDM4E (0.59) MEN1KMT2AL3MBTL1PDE4DNPC1
SCHEMBL8856376 0.71 ATM (0.75) ATMTOP2AMEN1KMT2AL3MBTL1
SCHEMBL28416108 0.71 ATM (0.75) ATMTOP2AMEN1KMT2AL3MBTL1
SCHEMBL28418922 0.71 ATM (0.75) ATMMEN1KMT2APDE4DNPC1
SCHEMBL28416102 0.71 ATM (0.75) ATMTOP2ATP53MEN1KMT2A
SCHEMBL26241795 0.70 ATM (0.50) ATMTP53ALOX15MEN1KMT2A
SCHEMBL16171231 0.70 TOP2A (0.86) ATMTOP2AMEN1KMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963272-B1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-03-20 EP claimed
EP-1963272-B1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-03-20 EP disclosed