SCHEMBL28620966

SCHEMBL28620966

O=S1(=O)N=C(Nc2ccc(F)cc2F)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HSD17B10 Q99714 2/20 0.56
GAA P10253 1/20 0.56
EPAS1 Q99814 3/20 0.53
POLB P06746 1/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
VCP P55072 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL30430647 1.00 LMNA (0.58) LMNAMEN1KMT2AHSD17B10GAA
SCHEMBL28631447 0.85 LMNA (0.68) LMNAMEN1KMT2AHSD17B10GAA
SCHEMBL30431173 0.85 LMNA (0.68) LMNAMEN1KMT2AHSD17B10GAA
SCHEMBL28616516 0.80 ALDH1A1 (0.73) LMNAMEN1KMT2AHSD17B10GAA
SCHEMBL30431609 0.80 ALDH1A1 (0.73) LMNAMEN1KMT2AHSD17B10GAA
SCHEMBL28619635 0.79 EPAS1 (0.71) LMNAMEN1KMT2AHSD17B10GAA
SCHEMBL30431601 0.79 EPAS1 (0.71) LMNAMEN1KMT2AHSD17B10GAA
SCHEMBL30430973 0.76 ALDH1A1 (0.63) LMNAMEN1KMT2AHSD17B10GAA
SCHEMBL28620603 0.76 ALDH1A1 (0.63) LMNAMEN1KMT2AHSD17B10GAA
SCHEMBL8976661 0.72 ALDH1A1 (0.77) LMNAMEN1KMT2AHSD17B10GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113264900-A Preparation method and medical application of benzisothiazole and benzothiophene 南京中医药大学 2021-08-17 CN claimed
CN-113264900-B Preparation method and medical application of benzisothiazole and benzothiophene 南京中医药大学 2023-05-26 CN disclosed
CN-113264900-A Preparation method and medical application of benzisothiazole and benzothiophene 南京中医药大学 2021-08-17 CN disclosed