SCHEMBL21186330

SCHEMBL21186330

COc1ccnc(C(=O)Nc2nc3ccc(/C(=N\OCc4ccccc4)c4ccccc4)cc3s2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.53
MET P08581 1/20 0.47
MAPT P10636 4/20 0.45
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 3/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PIK3CA P42336 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL21186327 0.90 SCD (0.51) SCDMETMAPTTP53SMN1; SMN2
SCHEMBL21186122 0.88 SCD (0.52) SCDMETMAPTTP53SMN1; SMN2
SCHEMBL21186112 0.86 SCD (0.56) SCDMETMAPTTP53SMN1; SMN2
SCHEMBL21186283 0.84 SCD (0.63) SCDMAPTTP53SMN1; SMN2HTT
SCHEMBL21186067 0.84 SCD (0.65) SCDMETMAPTHTTKDM4E
SCHEMBL21186392 0.83 SCD (0.67) SCDMETMAPTTP53SMN1; SMN2
SCHEMBL21186069 0.83 SCD (0.51) SCDMETMAPTTP53SMN1; SMN2
SCHEMBL21186033 0.83 SCD (0.53) SCDMAPTTP53SMN1; SMN2HTT
SCHEMBL21186152 0.82 SCD (0.52) SCDMETMAPTTP53SMN1; SMN2
SCHEMBL21186025 0.77 SCD (0.50) SCDMETMAPTTP53SMN1; SMN2

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-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed