SCHEMBL28691443

SCHEMBL28691443

C=CCN1c2ccccc2SC1S(=O)(=O)C1Sc2ccccc2N1CC=C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.37
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ CASP3 P42574 2/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ GAA P10253 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL9433695 0.78 GSK3B (0.43) GSK3BKMT2AMEN1POLBGAA
SCHEMBL8743157 0.76 GSK3B (0.40) GSK3BKMT2AMEN1POLBCASP3
SCHEMBL29222316 0.76 GSK3B (0.37) GSK3BKMT2AMEN1POLBCASP3
SCHEMBL8015168 0.73 PPARG (0.36) GSK3BKMT2AMEN1POLBCASP3
SCHEMBL15876008 0.72 AVPR2 (0.31) GSK3BKMT2A
SCHEMBL11355350 0.72 KMT2A (0.35) GSK3BKMT2AMEN1POLBCASP3
SCHEMBL16871129 0.71 GSK3B (0.40) GSK3BKMT2AMEN1POLB
SCHEMBL9069380 0.71 GSK3B (0.36) GSK3BKMT2AMEN1POLB
SCHEMBL29366806 0.68 GSK3B (0.38) GSK3BKMT2AMEN1POLBMMP13
SCHEMBL378842 0.68 GSK3B (0.38) GSK3BKMT2AMEN1POLBMMP13

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-114133821-A Antibacterial lining aluminum plate applied to household appliances and preparation method thereof 苏州多彩铝业有限责任公司 2022-03-04 — — CN disclosed
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