SCHEMBL21186162

SCHEMBL21186162

O=C(Nc1nc2c(Br)cc(Oc3ccccc3)cc2s1)c1ncccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
OPRK1 P41145 3/20 0.42
ALDH1A1 P00352 1/20 0.42
AGTR1 P30556 1/20 0.42
SCD O00767 4/20 0.41
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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) MAPTHTTLMNAKDM4EPOLB
SCHEMBL21186198 0.80 NPC1 (0.49) MAPTHTTLMNAKDM4EPOLB
SCHEMBL21186008 0.78 MAPT (0.57) MAPTHTTLMNAKDM4EPOLB
SCHEMBL21186274 0.77 MAPT (0.51) MAPTHTTLMNAKDM4EPOLB
SCHEMBL21186013 0.76 RIPK1 (0.44) MAPTHTTLMNAKDM4EPOLB
SCHEMBL21186121 0.76 NPC1 (0.43) KDM4EHPGDNPC1RAB9AKMT2A
SCHEMBL21186273 0.76 MAPT (0.57) MAPTHTTLMNAKDM4EPOLB
SCHEMBL21186171 0.75 NPC1 (0.62) MAPTHTTPOLBNPC1RAB9A
SCHEMBL21186199 0.75 NPC1 (0.59) MAPTHTTLMNAKDM4EHPGD
SCHEMBL23607120 0.73 TOP1 (0.61) HTTLMNAKDM4EHPGDNPC1

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