SCHEMBL9302326

SCHEMBL9302326

N#Cc1ccc2c(n1)-c1ccc(Br)cc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.47
BCL2 P10415 2/20 0.45
MCL1 Q07820 1/20 0.45
USP7 Q93009 6/20 0.43
USP47 Q96K76 4/20 0.43
PTPRC P08575 1/20 0.42
USP8 P40818 7/20 0.40
POLB P06746 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MAOB P27338 1/20 0.34
TGM2 P21980 1/20 0.33

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
SCHEMBL9301241 0.78 USP8 (0.41) USP7USP47USP8MAOB
SCHEMBL24873135 0.76 USP7 (0.72) S100A4BCL2MCL1USP7USP47
SCHEMBL9301758 0.76 S100A4 (0.52) S100A4BCL2MCL1PTPRCPOLB
SCHEMBL9301644 0.73 S100A4 (0.48) S100A4BCL2MCL1PTPRCPOLB
SCHEMBL9301771 0.72 BCL2 (0.49) S100A4BCL2MCL1USP7USP47
SCHEMBL11624231 0.71 S100A4 (0.61) S100A4BCL2MCL1USP7PTPRC
SCHEMBL762135 0.71 S100A4 (0.80) S100A4BCL2MCL1PTPRCCA1
SCHEMBL29390614 0.71 S100A4 (0.90) S100A4BCL2MCL1PTPRCCA1
SCHEMBL39700 0.71 S100A4 (0.90) S100A4BCL2MCL1PTPRCCA1
SCHEMBL29664078 0.71 S100A4 (0.80) S100A4BCL2MCL1PTPRCCA1

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
WO-1994009002-A1 2-(AZA-9-FLUORENONYL)CARBAPENEM ANTIBACTERIAL AGENTS MERCK & CO., INC. (US) 1994-04-28 WO disclosed
US-5294610-A Staphylococcus; side effect reduction MERCK & CO. INC. (US) 1994-03-15 US disclosed