SCHEMBL30512948

SCHEMBL30512948

C[C@H]1OC(=O)c2ccc(Br)cc2[C@@H]1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.39
S100A4 P26447 1/20 0.36
PTPRC P08575 1/20 0.36
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.34
AR P10275 1/20 0.33
TDP2 O95551 1/20 0.32
ALDH1A1 P00352 4/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL30512991 1.00 PBRM1 (0.39) PBRM1S100A4PTPRCMAPK1CYP1A2
SCHEMBL25409901 1.00 PBRM1 (0.39) PBRM1S100A4PTPRCMAPK1CYP1A2
SCHEMBL25411311 1.00 PBRM1 (0.39) PBRM1S100A4PTPRCMAPK1CYP1A2
SCHEMBL25409903 1.00 PBRM1 (0.39) PBRM1S100A4PTPRCMAPK1CYP1A2
SCHEMBL2729079 0.80 PBRM1 (0.42) PBRM1S100A4PTPRCMAPK1CYP1A2
SCHEMBL30553000 0.80 PBRM1 (0.42) PBRM1S100A4PTPRCMAPK1CYP1A2
SCHEMBL86917 0.74 S100A4 (0.42) PBRM1S100A4PTPRCMAPK1CYP1A2
SCHEMBL10254108 0.73 S100A4 (0.41) PBRM1S100A4PTPRCMAPK1CYP1A2
SCHEMBL18705382 0.73 S100A4 (0.41) PBRM1S100A4PTPRCMAPK1CYP1A2
SCHEMBL2532868 0.73 S100A4 (0.41) PBRM1S100A4PTPRCMAPK1CYP1A2

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-2023138612-A1 HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-27 WO disclosed