SCHEMBL21186274

SCHEMBL21186274

O=C(Nc1nc2cc(Cl)c(Oc3ccccc3)cc2s1)c1ncccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
HTT P42858 3/20 0.51
POLB P06746 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
KMT2A Q03164 4/20 0.48
OPRK1 P41145 3/20 0.45
PKM P14618 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
AGTR1 P30556 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SCD O00767 1/20 0.43
HSD17B10 Q99714 1/20 0.42
PNLIP P16233 1/20 0.42
GAA P10253 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
SCHEMBL21186001 0.84 MAPT (0.67) MAPTHTTPOLBKDM4ELMNA
SCHEMBL21186117 0.84 MAPT (0.53) MAPTHTTPOLBKDM4ELMNA
SCHEMBL21186108 0.83 MAPT (0.45) MAPTHTTPOLBKDM4ELMNA
SCHEMBL21186008 0.80 MAPT (0.57) MAPTHTTPOLBKDM4ELMNA
SCHEMBL21186278 0.79 MAPT (0.55) MAPTHTTPOLBKDM4ELMNA
SCHEMBL21186280 0.78 NPC1 (0.54) MAPTHTTPOLBKDM4ELMNA
SCHEMBL21186275 0.77 PIK3CG (0.62) MAPTHTTPOLBNPC1RAB9A
SCHEMBL23607120 0.77 TOP1 (0.61) HTTKDM4ELMNAHPGDNPC1
SCHEMBL21186273 0.77 MAPT (0.57) MAPTHTTPOLBKDM4ELMNA
SCHEMBL21186162 0.77 MAPT (0.48) MAPTHTTPOLBKDM4ELMNA

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