SCHEMBL21186202

SCHEMBL21186202

O=C(OCc1ccccc1)c1ccc2nc(NC(=O)c3ncccc3O)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.54
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
SCD O00767 5/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPT P10636 4/20 0.54
TP53 P04637 3/20 0.54
HSD17B10 Q99714 3/20 0.54
ALDH1A1 P00352 2/20 0.54
USP2 O75604 1/20 0.54
HPGD P15428 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
STAT1 P42224 1/20 0.49
HTT P42858 2/20 0.48
ACP1 P24666 1/20 0.47
DYRK1A Q13627 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL21186205 0.86 SCD (0.64) SMN1; SMN2NPC1RAB9ASCDKDM4E
SCHEMBL21186112 0.85 SCD (0.56) SMN1; SMN2NPC1RAB9ASCDKDM4E
SCHEMBL21186014 0.83 SCD (0.61) SMN1; SMN2NPC1RAB9ASCDMAPT
SCHEMBL21186010 0.82 MAPT (0.52) SMN1; SMN2NPC1RAB9ASCDKDM4E
SCHEMBL21179394 0.82 NPC1 (0.53) SMN1; SMN2NPC1RAB9ASCDKDM4E
SCHEMBL21186275 0.79 PIK3CG (0.62) SMN1; SMN2NPC1RAB9ASCDMAPT
SCHEMBL21186001 0.79 MAPT (0.67) SMN1; SMN2NPC1RAB9ASCDKDM4E
SCHEMBL21186009 0.77 SCD (0.55) SMN1; SMN2NPC1RAB9ASCDMAPT
SCHEMBL21186111 0.77 MAPT (0.53) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL23607120 0.77 TOP1 (0.61) SMN1; SMN2NPC1RAB9ASCDKDM4E

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