SCHEMBL7977817

SCHEMBL7977817

O=C1COc2ccc(N(S)C(=O)O)nc2N1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 10/20 0.40
NR3C1 P04150 1/20 0.39
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
PKM P14618 1/20 0.37
GAA P10253 1/20 0.36
MMP12 P39900 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 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
SCHEMBL19629922 0.85 NR3C2 (0.41) NR3C2NR3C1ALDH1A1MAPTPKM
SCHEMBL19629924 0.84 NR3C2 (0.40) NR3C2NR3C1ALDH1A1MAPTPKM
SCHEMBL19629923 0.84 NR3C2 (0.43) NR3C2NR3C1ALDH1A1MAPTPKM
SCHEMBL7977865 0.82 NR3C2 (0.38) NR3C2NR3C1ALDH1A1MAPTMMP12
SCHEMBL19250267 0.78 NR3C2 (0.39) NR3C2NR3C1PKMGAAKMT2A
SCHEMBL619718 0.76 NR3C2 (0.44) NR3C2NR3C1ALDH1A1MAPTPKM
SCHEMBL23871561 0.74 NR3C2 (0.38) NR3C2NR3C1
SCHEMBL23871692 0.74 MAPK14 (0.40) NR3C2NR3C1
SCHEMBL21400859 0.73 NR3C2 (0.47) NR3C2NR3C1ALDH1A1MAPTMMP12
SCHEMBL21400918 0.72 NR3C2 (0.42) NR3C2NR3C1ALDH1A1MAPTPKM

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-2001030782-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-05-03 WO disclosed