SCHEMBL9979473

SCHEMBL9979473

O=C(O)c1cccc2c1CN(c1ccc(Br)cc1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 3/20 0.45
KDM4E B2RXH2 1/20 0.44
ESR1 P03372 1/20 0.44
POLB P06746 1/20 0.44
NR4A1 P22736 1/20 0.44
APEX1 P27695 1/20 0.44
PTPN7 P35236 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 1/20 0.44
ESR2 Q92731 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 2/20 0.40

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
SCHEMBL9979649 0.86 HSP90AA1 (0.47) UGCGKDM4EESR1POLBNR4A1
SCHEMBL9979601 0.86 NPC1 (0.55) UGCGKDM4EESR1POLBNR4A1
SCHEMBL9979481 0.84 SLC6A3 (0.49) UGCGKDM4EESR1POLBNR4A1
SCHEMBL9979596 0.80 KDM4E (0.47) UGCGKDM4EESR1POLBNR4A1
SCHEMBL9979658 0.78 UGCG (0.42) UGCGNPC1RAB9AMEN1KMT2A
SCHEMBL16907880 0.78 POLB (0.70) KDM4EESR1POLBNR4A1APEX1
SCHEMBL9979484 0.76 UGCG (0.43) UGCGNPC1RAB9AMEN1KMT2A
SCHEMBL9979478 0.72 NPC1 (0.51) UGCGKDM4EESR1POLBNR4A1
SCHEMBL4150687 0.71 NPC1 (0.74) KDM4ETDP1NPC1RAB9AMEN1
SCHEMBL29610632 0.71 NPC1 (0.74) KDM4ETDP1NPC1RAB9AMEN1

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-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed