SCHEMBL28820232

SCHEMBL28820232

COC(=O)c1ccccc1S(=O)(=O)N=CN(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA5A P35218 1/20 0.55
CA9 Q16790 1/20 0.55
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL7534421 0.82 GAA (0.44) CA1CA2CA5ACA9KMT2A
SCHEMBL7534420 0.82 GAA (0.44) CA1CA2CA5ACA9KMT2A
SCHEMBL12444229 0.77 CA1 (0.51) CA1CA2CA5ACA9KMT2A
SCHEMBL10047327 0.76 ALDH1A1 (0.51) CA1CA2CA5ACA9KMT2A
SCHEMBL10047334 0.76 CA1 (0.50) CA1CA2CA5ACA9KMT2A
SCHEMBL6627930 0.75 CA1 (0.65) CA1CA2CA5ACA9KMT2A
SCHEMBL11545243 0.75 ALDH1A1 (0.37) CA1CA2CA5ACA9KMT2A
SCHEMBL9847942 0.75 PRSS1 (0.67) CA1CA2CA5ACA9KMT2A
SCHEMBL6228820 0.75 CA1 (0.59) CA1CA2CA5ACA9KMT2A
SCHEMBL11661242 0.74 CA1 (0.73) CA1CA2CA5ACA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920616-B Synthesis process of amidine compound 南京师范大学 2024-04-05 CN disclosed
CN-114920616-A Synthetic process of amidine compound 南京师范大学 2022-08-19 CN disclosed