SCHEMBL21186010

SCHEMBL21186010

O=C(Nc1nc2ccc(Cc3ccccc3)cc2s1)c1ncccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
HTT P42858 4/20 0.52
OPRK1 P41145 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
PKM P14618 2/20 0.49
POLB P06746 2/20 0.49
PIK3CA P42336 1/20 0.49
AGTR1 P30556 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
SCD O00767 1/20 0.47
MEN1 O00255 3/20 0.47
TP53 P04637 2/20 0.47
LRRK2 Q5S007 1/20 0.47

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 0.85 SCD (0.64) MAPTNPC1RAB9AHTTOPRK1
SCHEMBL21186275 0.84 PIK3CG (0.62) MAPTNPC1RAB9AHTTOPRK1
SCHEMBL21186152 0.82 SCD (0.52) MAPTNPC1RAB9AHTTOPRK1
SCHEMBL21186202 0.82 SMN1; SMN2 (0.54) MAPTNPC1RAB9AHTTOPRK1
SCHEMBL21186014 0.82 SCD (0.61) MAPTNPC1RAB9AHTTOPRK1
SCHEMBL21186111 0.82 MAPT (0.53) MAPTNPC1RAB9AHTTOPRK1
SCHEMBL21186009 0.82 SCD (0.55) MAPTNPC1RAB9AHTTOPRK1
SCHEMBL23607120 0.82 TOP1 (0.61) NPC1RAB9AHTTSMN1; SMN2PKM
SCHEMBL22130324 0.81 NPC1 (0.53) MAPTNPC1RAB9AHTTOPRK1
SCHEMBL31219257 0.81 NPC1 (0.53) MAPTNPC1RAB9AHTTOPRK1

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