SCHEMBL22018666

SCHEMBL22018666

C#CCNC(=O)c1cc[n+](CCS(=O)(=O)[O-])nc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.50
CA1 P00915 7/20 0.50
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 2/20 0.50
NAMPT P43490 1/20 0.34
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
SCD O00767 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL22018290 0.86 CA12 (0.41) CA2CA1CA12CA9CA14
SCHEMBL22017892 0.86 CA2 (0.45) CA2CA1CA12CA9CA14
SCHEMBL22018040 0.84 KDM4E (0.48) CA2CA12CA9NAMPTKDM4E
SCHEMBL28634617 0.84 CA2 (0.41) CA2CA1CA12CA9
SCHEMBL22018656 0.83 KMT2A (0.42) CA2NAMPTKDM4EKMT2A
SCHEMBL22017897 0.83 CA12 (0.43) CA2CA1CA12CA9CA14
SCHEMBL22018667 0.81 CA1 (0.41) CA2CA1CA12CA9CA14
SCHEMBL22018670 0.81 SMN1; SMN2 (0.44) KDM4EKMT2A
SCHEMBL22018041 0.80 CA2 (0.44) CA2NAMPT
SCHEMBL22018668 0.80 CA2 (0.50) CA2NAMPTKDM4E

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-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed