SCHEMBL22017892

SCHEMBL22017892

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 1/20 0.45
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 1/20 0.32
NAMPT P43490 1/20 0.31
SCD O00767 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
SCHEMBL22018101 0.87 CA12 (0.37) CA2CA12CA9KDM4EKMT2A
SCHEMBL22018666 0.86 CA2 (0.50) CA2CA12CA1CA9CA14
SCHEMBL24145388 0.84 LOXL2 (0.34) KDM4EKMT2A
SCHEMBL22018318 0.84 HPGD (0.40) KMT2ANAMPT
SCHEMBL22017895 0.82 SMN1; SMN2 (0.42) KDM4EKMT2A
SCHEMBL22017897 0.81 CA12 (0.43) CA2CA12CA1CA9CA14
SCHEMBL22018651 0.81 RORC (0.34)
SCHEMBL22018667 0.80 CA1 (0.41) CA2CA12CA1CA9CA14
SCHEMBL24145389 0.74 LOXL2 (0.35) KDM4E
SCHEMBL22018040 0.73 KDM4E (0.48) CA2CA12CA9KDM4EKMT2A

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