SCHEMBL31054256

SCHEMBL31054256

CN1CCc2sc(S(N)(=O)=O)cc2C1.[Na]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.42
F10 P00742 1/20 0.40
PARP1 P09874 3/20 0.39
PARP2 Q9UGN5 3/20 0.39
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL31054271 0.88 CA2 (0.42) CA2F10PARP1PARP2MAOA
SCHEMBL22012060 0.86 CA2 (0.43) CA2F10PARP1PARP2MAOA
SCHEMBL25796673 0.83 F10 (0.41) F10PARP1PARP2MAOAMAOB
SCHEMBL25796672 0.83 F10 (0.41) F10PARP1PARP2MAOAMAOB
SCHEMBL25796836 0.78 CA2 (0.35) CA2PARP1PARP2PRMT5WDR77
SCHEMBL25796678 0.78 PARP1 (0.42) F10PARP1PARP2PRMT5WDR77
SCHEMBL22012118 0.78 PARP1 (0.36) F10PARP1PARP2PRMT5WDR77
SCHEMBL30244447 0.75 PARP1 (0.38) F10PARP1PARP2MAOAMAOB
SCHEMBL22012076 0.73 ASIC3 (0.37) CA2PRMT5WDR77
SCHEMBL20692245 0.73 CA1 (0.59) CA2MAOAMAOBCA12CA1

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-118475558-A Sulfonylurea compound 瑞石生物医药有限公司 2024-08-09 CN disclosed