SCHEMBL9301522

SCHEMBL9301522

COC(=O)c1ncccc1-c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.51
PRKCZ Q05513 1/20 0.46
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
METAP2 P50579 2/20 0.42
RAB9A P51151 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
SLC6A4 P31645 2/20 0.41
ACLY P53396 1/20 0.40
KMT2A Q03164 1/20 0.39
MAP2K1 Q02750 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL698991 0.86 L3MBTL1 (0.55) L3MBTL1PRKCZACLYKMT2AHTT
SCHEMBL30499558 0.85 SLC6A4 (0.59) SLC6A3L3MBTL1MKNK1MKNK2METAP2
SCHEMBL22290184 0.85 SLC6A4 (0.59) SLC6A3L3MBTL1MKNK1MKNK2METAP2
SCHEMBL5517057 0.85 SLC6A3 (0.59) SLC6A3L3MBTL1MAPTTLR7MKNK1
SCHEMBL28865711 0.85 L3MBTL1 (0.51) SLC6A3L3MBTL1MKNK1MKNK2METAP2
SCHEMBL28250388 0.84 L3MBTL1 (0.50) SLC6A3L3MBTL1MKNK1MKNK2METAP2
SCHEMBL69177 0.84 L3MBTL1 (0.64) L3MBTL1MAPTMAP2K1ALOX15HTT
SCHEMBL4700610 0.82 L3MBTL1 (0.49) SLC6A3L3MBTL1MAPTMKNK1MKNK2
SCHEMBL28908478 0.82 TLR7 (0.46) SLC6A3L3MBTL1MAPTTLR7MKNK1
SCHEMBL28825335 0.81 KLRK1 (0.52) L3MBTL1MAPTTLR7METAP2TRPV1

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