SCHEMBL25920001

SCHEMBL25920001

N=C1Cc2ccc(Br)cc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
METAP1 P53582 2/20 0.49
S100A4 P26447 1/20 0.47
TDP2 O95551 2/20 0.43
PARP1 P09874 1/20 0.43
PARP10 Q53GL7 1/20 0.43
CMA1 P23946 1/20 0.42
AHR P35869 1/20 0.42
PTPRC P08575 1/20 0.41
CHEK2 O96017 1/20 0.41
ROS1 P08922 1/20 0.41
MARK3 P27448 1/20 0.41
LTK P29376 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
AURKB Q96GD4 1/20 0.41
PBK Q96KB5 1/20 0.41
STK17A Q9UEE5 1/20 0.41

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
SCHEMBL10057541 0.84 TDP1 (0.63) TDP1L3MBTL1METAP1S100A4TDP2
SCHEMBL8206319 0.80 TDP1 (0.55) TDP1L3MBTL1METAP1S100A4TDP2
SCHEMBL27761880 0.78 METAP1 (0.65) TDP1L3MBTL1METAP1S100A4TDP2
SCHEMBL27456249 0.77 PARP1 (0.43) METAP1TDP2PARP1PARP10CA1
SCHEMBL21547664 0.77 TDP2 (0.51) METAP1TDP2TGM2CES1MAOA
SCHEMBL31073 0.77 METAP1 (0.79) TDP1L3MBTL1METAP1S100A4TDP2
SCHEMBL27456260 0.77 METAP1 (0.62) METAP1PARP1PARP10CA1CA2
SCHEMBL394145 0.76 TDP1 (0.80) TDP1L3MBTL1METAP1S100A4PTPRC
SCHEMBL2370367 0.75 METAP1 (0.50) TDP1L3MBTL1METAP1S100A4TDP2
SCHEMBL358939 0.75 TDP1 (0.81) TDP1L3MBTL1METAP1S100A4TDP2

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-2023132606-A1 NOVEL ISOINDOLINONE DERIVATIVE COMPOUNDS AS CASPASE INHIBITORS 주식회사 이노보테라퓨틱스 2023-07-13 WO disclosed