SCHEMBL30368404

SCHEMBL30368404

COS(=O)(=O)c1ccc(C)cc1-c1cccc(-c2cc(C)ccc2S(=O)(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
F2 P00734 2/20 0.35
MAPT P10636 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
S1PR4 O95977 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAOB P27338 3/20 0.33
HSD17B10 Q99714 1/20 0.33
ELANE P08246 1/20 0.33
SNCA P37840 1/20 0.33
CTSA P10619 1/20 0.33
LOX P28300 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
XBP1 P17861 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
SCHEMBL3885747 0.85 MAOB (0.42) ALDH1A1MAPTS1PR4MAOBHSD17B10
SCHEMBL8820277 0.84 HDAC7 (0.41) KDM4EALDH1A1MAPTPTGDR2KMT2A
SCHEMBL2315622 0.83 MAOB (0.49) KDM4EALDH1A1MAPTHPGDMAOB
SCHEMBL6236657 0.81 CHRM1 (0.43) KMT2ASMN1; SMN2NPSR1
SCHEMBL3151094 0.80 HDAC7 (0.49) KDM4EALDH1A1MAPTPTGDR2KMT2A
SCHEMBL776571 0.79 MAPT (0.44) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL9547090 0.79 ALPL (0.47) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL8082279 0.78 MAOA (0.41) KDM4EALDH1A1MAPTPTGDR2KMT2A
SCHEMBL11587245 0.77 S1PR4 (0.45) KDM4EALDH1A1MAPTS1PR4GAA
SCHEMBL1117961 0.76 PTGS2 (0.42) KDM4EALDH1A1F2MAPTKMT2A

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-115996907-A Inhibitors of MLH1 and/or PMS2 for cancer treatment 奈奥芬莱有限公司 2023-04-21 CN disclosed