SCHEMBL21186220

SCHEMBL21186220

O=C(Nc1nc2ccc(OCc3ccc(F)cc3Cl)cc2s1)c1ncccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
PKM P14618 2/20 0.52
OPRK1 P41145 2/20 0.52
HTT P42858 2/20 0.52
POLB P06746 2/20 0.52
AGTR1 P30556 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CSNK1D P48730 1/20 0.48
TP53 P04637 6/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 1/20 0.47
SCD O00767 1/20 0.46
LRRK2 Q5S007 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
SCHEMBL21186255 0.88 MAPT (0.41) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL21186273 0.83 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL21186205 0.82 SCD (0.64) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL21186138 0.82 NPC1 (0.48) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL21186281 0.81 MAPT (0.55) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL21186178 0.81 RAB9A (0.72) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL21186117 0.81 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL21186008 0.79 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL21186280 0.79 NPC1 (0.54) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL21186001 0.77 MAPT (0.67) MAPTNPC1RAB9ASMN1; SMN2PKM

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