SCHEMBL25813767

SCHEMBL25813767

CNC(=O)c1cccc(-c2noc(C)n2)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.64
KIFC1 Q9BW19 7/20 0.53
MAPT P10636 3/20 0.50
TP53 P04637 3/20 0.50
POLB P06746 1/20 0.50
CDK8 P49336 1/20 0.49
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ADORA2A P29274 1/20 0.47
IP6K1 Q92551 1/20 0.47
IP6K3 Q96PC2 1/20 0.47
IP6K2 Q9UHH9 1/20 0.47
SCN9A Q15858 1/20 0.47
MAPK14 Q16539 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
SCHEMBL30497107 0.84 L3MBTL1 (0.70) PLK1L3MBTL1KIFC1MAPTTP53
SCHEMBL225165 0.84 L3MBTL1 (0.70) PLK1L3MBTL1KIFC1MAPTTP53
SCHEMBL1300650 0.83 L3MBTL1 (0.64) PLK1L3MBTL1KIFC1MAPTTP53
SCHEMBL1020649 0.82 L3MBTL1 (0.68) PLK1L3MBTL1KIFC1MAPTTP53
SCHEMBL326777 0.82 L3MBTL1 (0.68) PLK1L3MBTL1KIFC1MAPTTP53
SCHEMBL30454185 0.82 L3MBTL1 (0.68) PLK1L3MBTL1KIFC1MAPTTP53
SCHEMBL11962152 0.82 PLK1 (1.00) PLK1L3MBTL1MAPTTP53HDAC8
SCHEMBL25254573 0.81 KIFC1 (0.60) PLK1L3MBTL1KIFC1MAPTTP53
SCHEMBL30497131 0.81 KIFC1 (0.60) PLK1L3MBTL1KIFC1MAPTTP53
SCHEMBL7554084 0.81 PLK1 (0.97) PLK1L3MBTL1MAPTTP53HDAC6

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
WO-2023131690-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2023-07-13 WO disclosed