SCHEMBL22018678

SCHEMBL22018678

CNC(=O)c1cn[n+](CCS(=O)(=O)[O-])cc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.39
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CGAS Q8N884 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
PDE4B Q07343 1/20 0.34
PLK1 P53350 2/20 0.33

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
SCHEMBL28634617 0.74 CA2 (0.41) BAZ2BHTTHDAC2PDE4BPLK1
SCHEMBL22017871 0.73 MEN1 (0.48) KMT2AALDH1A1
SCHEMBL21431458 0.69 HDAC1 (0.38) HDAC1JAK3ALDH1A1
SCHEMBL22018668 0.68 CA2 (0.50) HDAC2GSK3BCLK4LMNAALDH1A1
SCHEMBL22018050 0.68 ALDH1A1 (0.47) KMT2AHDAC2ALDH1A1HPGD
SCHEMBL3223294 0.65 CHRNB2 (0.65) FGFR1FGFR2FGFR4FGFR3CHRNB2
SCHEMBL22018290 0.64 CA12 (0.41) KMT2AMAPK14LMNAALDH1A1HPGD
SCHEMBL29434886 0.63 HNF4A (0.66) FGFR1FGFR2FGFR4FGFR3CHRNB2
SCHEMBL22124840 0.63 ALDH1A1 (0.38) KMT2AALDH1A1HPGDPABPC1EIF4H
SCHEMBL15472559 0.62 CHRNB2 (0.56) FGFR1FGFR2FGFR4FGFR3CHRNB2

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