SCHEMBL21186205

SCHEMBL21186205

O=C(Nc1nc2ccc(OCc3ccccc3)cc2s1)c1ncccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.64
MAPT P10636 8/20 0.57
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
KMT2A Q03164 4/20 0.57
PKM P14618 1/20 0.57
OPRK1 P41145 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
TP53 P04637 2/20 0.57
MEN1 O00255 3/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
POLB P06746 3/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL21186178 0.87 RAB9A (0.72) MAPTNPC1RAB9AKMT2APKM
SCHEMBL21186001 0.87 MAPT (0.67) SCDMAPTNPC1RAB9AKMT2A
SCHEMBL21186202 0.86 SMN1; SMN2 (0.54) SCDMAPTNPC1RAB9AKMT2A
SCHEMBL21186010 0.85 MAPT (0.52) SCDMAPTNPC1RAB9AKMT2A
SCHEMBL21186392 0.84 SCD (0.67) SCDMAPTNPC1RAB9AKMT2A
SCHEMBL21186275 0.81 PIK3CG (0.62) SCDMAPTNPC1RAB9AKMT2A
SCHEMBL21186008 0.81 MAPT (0.57) SCDMAPTNPC1RAB9AKMT2A
SCHEMBL21186273 0.81 MAPT (0.57) SCDMAPTNPC1RAB9AKMT2A
SCHEMBL21186009 0.80 SCD (0.55) SCDMAPTNPC1RAB9AKMT2A
SCHEMBL23607120 0.80 TOP1 (0.61) SCDNPC1RAB9AKMT2APKM

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