SCHEMBL30978710

SCHEMBL30978710

O=C1C=C(Br)c2cc(Br)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.54
PTPRC P08575 2/20 0.47
BCL2 P10415 2/20 0.45
MCL1 Q07820 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
TGM2 P21980 1/20 0.39
CES1 P23141 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HSP90AA1 P07900 1/20 0.38
TLR9 Q9NR96 1/20 0.38
METAP1 P53582 1/20 0.37
PARP10 Q53GL7 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL28845752 0.87 S100A4 (0.61) S100A4PTPRCBCL2MCL1CA1
SCHEMBL8773094 0.87 PTPRC (0.61) S100A4PTPRCBCL2MCL1CA1
SCHEMBL11997912 0.78 MAOA (0.47) S100A4PTPRCCA1CA2CA4
SCHEMBL11052384 0.76 S100A4 (0.58) S100A4PTPRCBCL2MCL1CA1
SCHEMBL18992188 0.75 BCL2 (0.58) S100A4PTPRCBCL2MCL1CA1
SCHEMBL31543996 0.74 S100A4 (0.50) S100A4PTPRCBCL2MCL1CA1
SCHEMBL8234699 0.74 PTPN1 (0.51) MCL1CA1CA2CA4CA7
SCHEMBL27881077 0.74 S100A4 (0.45) S100A4PTPRCBCL2MCL1CA1
SCHEMBL6345958 0.73 PTPRC (0.74) S100A4PTPRCCES1L3MBTL1CYP1A2
Acridine SCHEMBL28153648 0.72 PTPRC (0.46) S100A4PTPRCBCL2MCL1CES1

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-118324617-A Method for synthesizing 5-bromo-1H-indene-1-ketone 宿州利元生物医药科技有限公司 2024-07-12 CN disclosed