SCHEMBL21186280

SCHEMBL21186280

O=C(Nc1nc2ccc(Oc3ccccc3F)cc2s1)c1ncccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.54
RAB9A P51151 9/20 0.54
MAPT P10636 8/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 3/20 0.53
POLB P06746 3/20 0.53
PKM P14618 2/20 0.53
OPRK1 P41145 2/20 0.53
AGTR1 P30556 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
SCD O00767 4/20 0.48
TP53 P04637 2/20 0.48
LRRK2 Q5S007 1/20 0.47
HSD17B1 P14061 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
SCHEMBL21186273 0.89 MAPT (0.57) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL21186117 0.89 MAPT (0.53) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL21186001 0.87 MAPT (0.67) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL21186281 0.86 MAPT (0.55) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL21186252 0.85 NPC1 (0.58) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL21186008 0.83 MAPT (0.57) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL21186278 0.82 MAPT (0.55) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL21186178 0.81 RAB9A (0.72) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL21186205 0.81 SCD (0.64) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL21186027 0.80 NPC1 (0.62) NPC1RAB9AMAPTSMN1; SMN2HTT

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