SCHEMBL21186014

SCHEMBL21186014

O=C(c1ccccc1)c1ccc2nc(NC(=O)c3ncccc3O)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.61
LRRK2 Q5S007 1/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
OPRK1 P41145 2/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
TP53 P04637 1/20 0.50
TOP1 P11387 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
AGTR1 P30556 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL21186275 0.85 PIK3CG (0.62) SCDLRRK2NPC1RAB9AMAPT
SCHEMBL21186202 0.83 SMN1; SMN2 (0.54) SCDNPC1RAB9AHSD17B10MAPT
SCHEMBL21186111 0.83 MAPT (0.53) LRRK2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL21186009 0.83 SCD (0.55) SCDLRRK2NPC1RAB9AMAPT
SCHEMBL23607120 0.83 TOP1 (0.61) SCDNPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL22130324 0.82 NPC1 (0.53) SCDNPC1RAB9AHSD17B10MAPT
SCHEMBL31219257 0.82 NPC1 (0.53) SCDNPC1RAB9AHSD17B10MAPT
SCHEMBL21186283 0.82 SCD (0.63) SCDNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL21186010 0.82 MAPT (0.52) SCDLRRK2NPC1RAB9AMAPT
SCHEMBL21186001 0.82 MAPT (0.67) SCDNPC1RAB9AMAPTSMN1; 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