SCHEMBL7974822

SCHEMBL7974822

O=C1COc2ccc(NC(=O)Oc3ccccc3)nc2N1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
NR3C2 P08235 6/20 0.41
ROCK2 O75116 1/20 0.41
NR3C1 P04150 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL21400918 0.82 NR3C2 (0.42) SYKALDH1A1MAPTNR3C2NR3C1
SCHEMBL7977814 0.79 NR3C2 (0.41) SYKALDH1A1MAPTNR3C2NR3C1
SCHEMBL619718 0.70 NR3C2 (0.44) ALDH1A1MAPTNR3C2NR3C1KMT2A
SCHEMBL28473291 0.69 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMAOBCYP1A2
SCHEMBL23455714 0.69 EP300 (0.42) NR3C2NR3C1
SCHEMBL19629975 0.68 MAPT (0.49) MAPTNR3C2NR3C1KMT2A
SCHEMBL3262979 0.68 NR3C2 (0.47) ALDH1A1MAPTNR3C2NR3C1KMT2A
SCHEMBL21400859 0.68 NR3C2 (0.47) ALDH1A1MAPTNR3C2NR3C1KMT2A
SCHEMBL8489674 0.67 NPC1 (0.60) KMT2ANFKB1NFKB2RELA
SCHEMBL7244914 0.67 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMAOBCYP1A2

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