SCHEMBL28739997

SCHEMBL28739997

CC(O)C(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
EDNRA P25101 7/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
CA2 P00918 1/20 0.49
HDAC4 P56524 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NSD2 O96028 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL4128594 1.00 F2 (0.52) F2PRSS1PRSS2PRSS3EDNRA
SCHEMBL4128595 1.00 F2 (0.52) F2PRSS1PRSS2PRSS3EDNRA
SCHEMBL10964796 1.00 F2 (0.52) F2PRSS1PRSS2PRSS3EDNRA
SCHEMBL10965358 0.91 F2 (0.53) F2PRSS1PRSS2PRSS3EDNRA
SCHEMBL10966272 0.91 F2 (0.53) F2PRSS1PRSS2PRSS3EDNRA
SCHEMBL4140524 0.87 EDNRA (0.50) F2PRSS1PRSS2PRSS3EDNRA
SCHEMBL4140520 0.87 EDNRA (0.50) F2PRSS1PRSS2PRSS3EDNRA
SCHEMBL5587391 0.87 EDNRA (0.50) F2PRSS1PRSS2PRSS3EDNRA
SCHEMBL29683331 0.86 F2 (0.55) F2PRSS1PRSS2PRSS3EDNRA
SCHEMBL867346 0.86 F2 (0.55) F2PRSS1PRSS2PRSS3EDNRA

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-119174932-A Preparation method of capillary chromatographic column based on metal organic framework material and used for chiral separation 上海大学 2024-12-24 CN disclosed
CN-113388128-B Imidazole dimethylamide bridged bis-beta-cyclodextrin stationary phase and preparation method and application thereof 南昌大学 2022-05-20 CN disclosed
CN-113388128-A Imidazole dimethylamide bridged bis-beta-cyclodextrin stationary phase and preparation method and application thereof 南昌大学 2021-09-14 CN disclosed