SCHEMBL24383402

SCHEMBL24383402

CS(=O)(=O)c1ccc(Nc2ccc([SH](=O)=O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
TGM2 P21980 1/20 0.43
PIP4K2C Q8TBX8 5/20 0.41
PIP4K2A P48426 1/20 0.41
GSK3B P49841 2/20 0.40
ATM Q13315 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39

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
SCHEMBL13816949 0.89 ENPP2 (0.52) ENPP2TGM2
SCHEMBL25667539 0.87 ENPP2 (0.54) ENPP2TGM2PIP4K2CPIP4K2AGSK3B
SCHEMBL3245767 0.79 MEN1 (0.58) GSK3BATM
SCHEMBL14350854 0.78 SMN1; SMN2 (0.46) ENPP2CA12CA1CA2CA9
SCHEMBL2877698 0.78 GSK3B (0.59) GSK3BCA12CA1CA2CA9
SCHEMBL5457984 0.76 ENPP2 (0.43) ENPP2TGM2PIP4K2CPIP4K2AGSK3B
SCHEMBL31527842 0.75 ENPP2 (0.46) ENPP2TGM2ATMCA12CA1
SCHEMBL5923820 0.74 PTGS2 (0.56)
SCHEMBL5458774 0.73 PTGS2 (0.57) PIP4K2ACA12CA1CA2CA9
SCHEMBL8328694 0.73 PIP4K2C (0.46) ENPP2TGM2PIP4K2CPIP4K2AGSK3B

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
EP-4130131-A1 ACRYLIC RUBBER COMPOSITION AND RUBBER CROSSLINKED PRODUCT Zeon Corporation (JP) 2023-02-08 EP disclosed
EP-3992218-A1 ACRYLIC RUBBER, ACRYLIC RUBBER COMPOSITION, AND CROSSLINKED RUBBER Zeon Corporation (JP) 2022-05-04 EP disclosed
EP-3992236-A1 ACRYLIC RUBBER COMPOSITION AND RUBBER CROSSLINKED PRODUCT Zeon Corporation (JP) 2022-05-04 EP disclosed