SCHEMBL6508550

SCHEMBL6508550

CNC1SCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR7 P34969 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AR P10275 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL8789224 0.86 NPC1 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL8090519 0.84 HTR7 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL8787447 0.83 HTR7 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL6507979 0.82 DRD2 (0.43) DRD2DRD3
SCHEMBL9285158 0.81 MEN1 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL6509757 0.81 MEN1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL8788747 0.81 CA12 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL8787665 0.81 MEN1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL5827269 0.81 MEN1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL6508393 0.81 TRPA1 (0.34) MAPK1MAPTTSHR

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-2005000824-A1 LAZOLIDINE DERIVATIVES AS HERBICIDAL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-06 WO disclosed