SCHEMBL31331576

SCHEMBL31331576

N#CC1=Cc2ccc(Br)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.44
BCL2 P10415 2/20 0.42
MCL1 Q07820 1/20 0.42
PTPRC P08575 1/20 0.39
TGM2 P21980 1/20 0.37
CES1 P23141 1/20 0.37
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
BIRC5 O15392 1/20 0.33
PIM1 P11309 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
APP P05067 1/20 0.32

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
SCHEMBL29277842 0.86 S100A4 (0.44) S100A4BCL2MCL1PTPRCTGM2
SCHEMBL31557620 0.86 S100A4 (0.44) S100A4BCL2MCL1PTPRCTGM2
SCHEMBL29624824 0.73 GPR84 (0.50) S100A4BCL2MCL1PTPRCCES1
SCHEMBL28450938 0.73 GPR84 (0.38) S100A4BCL2MCL1PTPRCCA1
SCHEMBL2781483 0.73 GPR84 (0.50) S100A4BCL2MCL1PTPRCCES1
SCHEMBL31557621 0.70
SCHEMBL4648894 0.66 PTPRC (0.66) S100A4BCL2MCL1PTPRCTGM2
SCHEMBL30412580 0.66 PTPRC (0.66) S100A4BCL2MCL1PTPRCTGM2
SCHEMBL11624231 0.66 S100A4 (0.61) S100A4BCL2MCL1PTPRCTGM2
SCHEMBL31591331 0.64 MEN1 (0.36) CA1CA2CA7CA9MAPK1

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
CN-119192204-A Dimer type receptor material, preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-12-27 CN disclosed