SCHEMBL28634617

SCHEMBL28634617

CNC(=O)c1cc[n+](CCS(=O)(=O)[O-])nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
PLK1 P53350 7/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
BAZ2B Q9UIF8 1/20 0.37
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LOX P28300 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
GRM5 P41594 1/20 0.34
LCK P06239 1/20 0.31
MAPK14 Q16539 1/20 0.31
PDE4A P27815 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
SCHEMBL22018290 0.87 CA12 (0.41) CA2CA12CA1CA9HDAC6
SCHEMBL22018040 0.85 KDM4E (0.48) CA2CA12CA9HPGDSMN1; SMN2
SCHEMBL22017862 0.84 PLK1 (0.35) CA2PLK1CA12CA1CA9
SCHEMBL22018666 0.84 CA2 (0.50) CA2CA12CA1CA9
SCHEMBL22018656 0.84 KMT2A (0.42) CA2HPGDSMN1; SMN2MAPK14
SCHEMBL22018050 0.82 ALDH1A1 (0.47) CA12CA1CA9HDAC2HDAC8
SCHEMBL22018046 0.82 LMNA (0.41) CA12CA1CA9HPGDTSHR
SCHEMBL22018670 0.81 SMN1; SMN2 (0.44) HPGDHTTSMN1; SMN2
SCHEMBL22018041 0.80 CA2 (0.44) CA2HDAC2HDAC8HDAC6MAPK14
SCHEMBL22018679 0.80 CA12 (0.37) CA2CA12CA9HPGDSMN1; SMN2

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-113329629-A Herbicidal compounds 先正达农作物保护股份公司 2021-08-31 CN disclosed