SCHEMBL22018656

SCHEMBL22018656

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 3/20 0.41
MLYCD O95822 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NAMPT P43490 2/20 0.37
CNR2 P34972 2/20 0.36
HDAC4 P56524 1/20 0.36
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA2 P00918 1/20 0.34
ACACB O00763 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARD Q03181 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 3/20 0.34

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) KMT2AHPGDKDM4ENAMPTHDAC4
SCHEMBL22018040 0.84 KDM4E (0.48) KMT2AGAAHPGDKDM4ENAMPT
SCHEMBL28634617 0.84 CA2 (0.41) HPGDCA2MAPK14SMN1; SMN2
SCHEMBL22018666 0.83 CA2 (0.50) KMT2AKDM4ENAMPTCA2
SCHEMBL22018670 0.81 SMN1; SMN2 (0.44) KMT2AGAAHPGDKDM4EMEN1
SCHEMBL22018041 0.80 CA2 (0.44) MLYCDNAMPTHDAC4CA2CYP2C9
SCHEMBL22018668 0.80 CA2 (0.50) KDM4ENAMPTL3MBTL1CA2ALDH1A1
SCHEMBL22018679 0.80 CA12 (0.37) KMT2AGAAHPGDKDM4ENAMPT
SCHEMBL22018043 0.78 L3MBTL1 (0.47) KMT2AHPGDNAMPTMEN1L3MBTL1
SCHEMBL22018046 0.77 LMNA (0.41) KMT2AGAAHPGDMEN1L3MBTL1

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