SCHEMBL23745978

SCHEMBL23745978

C#CCCCNc1cccc(S(=O)(=O)C/C(F)=C/CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.43
CA2 P00918 9/20 0.43
P4HB P07237 1/20 0.35
ALOX5 P09917 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
CA12 O43570 6/20 0.33
CA9 Q16790 6/20 0.33
NQO2 P16083 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
BRD4 O60885 3/20 0.32

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
SCHEMBL23746019 0.87 CA1 (0.36) CA1CA2P4HBALOX5CA12
SCHEMBL23745930 0.86 CA1 (0.39) CA1CA2P4HBALOX5CA12
SCHEMBL23745977 0.81 CA1 (0.34) CA1CA2P4HBNQO2CYP3A4
SCHEMBL21693455 0.79 HSD11B1 (0.46) CA1CA2MMP13CA12CA9
SCHEMBL28549912 0.79 HSD11B1 (0.46) CA1CA2MMP13CA12CA9
SCHEMBL23745906 0.78 STAT3 (0.39) CA1CA2CA12CA9CYP2C19
SCHEMBL23746004 0.75 CA1 (0.48) CA1CA2CA12CA9CYP3A4
SCHEMBL30633644 0.74 CD74 (0.35)
SCHEMBL23723339 0.74 STAT3 (0.46) CA1CA2
SCHEMBL23723336 0.74 STAT3 (0.46) CA1CA2

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
WO-2021155439-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2021-08-12 WO disclosed