SCHEMBL14775787

SCHEMBL14775787

CC(=O)Nc1cc(C)c2cccnc2c1O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
ATM Q13315 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TOP2A P11388 8/20 0.50
BRD4 O60885 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
CCR1 P32246 1/20 0.46
CCR8 P51685 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46

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 0.88 TP53 (0.61) TP53ALOX15ATMMEN1KMT2A
SCHEMBL14775768 0.83 KDM4E (0.60) TP53ALOX15ATMMEN1KMT2A
SCHEMBL14775769 0.80 ATM (0.56) TP53ALOX15ATMMEN1KMT2A
SCHEMBL28175303 0.78 MEN1 (0.55) ATMMEN1KMT2ATOP2AL3MBTL1
SCHEMBL15322590 0.78 MEN1 (0.59) TP53ALOX15ATMMEN1KMT2A
SCHEMBL2013978 0.78 HTT (0.50) TP53ALOX15MEN1KMT2ABRD4
SCHEMBL17046868 0.76 HTT (0.59) TP53ALOX15MEN1KMT2ABRD4
SCHEMBL318630 0.76 HTT (0.59) TP53ALOX15MEN1KMT2ABRD4
SCHEMBL29577465 0.76 HTT (0.59) TP53ALOX15MEN1KMT2ABRD4
SCHEMBL554438 0.75 ALDH1A1 (0.55) MEN1KMT2AHTTNPC1RAB9A

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