SCHEMBL21186255

SCHEMBL21186255

O=C(Nc1nc2ccc(OCc3ccc(F)cc3Cl)cc2s1)c1ncc(-c2ccc(Oc3ccc4nc(NC(=O)c5ncccc5O)sc4n3)cc2)cc1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PKM P14618 2/20 0.41
OPRK1 P41145 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
AGTR1 P30556 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 6/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
PTGES O14684 1/20 0.40
CSNK1D P48730 1/20 0.39
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL21186220 0.88 MAPT (0.52) MAPTNPC1RAB9APKMOPRK1
SCHEMBL21186273 0.76 MAPT (0.57) MAPTNPC1RAB9APKMOPRK1
SCHEMBL21186221 0.74 HCK (0.46) MAPTNPC1RAB9APKMOPRK1
SCHEMBL21186281 0.73 MAPT (0.55) MAPTNPC1RAB9APKMOPRK1
SCHEMBL21186008 0.72 MAPT (0.57) MAPTNPC1RAB9APKMOPRK1
SCHEMBL21186117 0.72 MAPT (0.53) MAPTNPC1RAB9APKMOPRK1
SCHEMBL21186205 0.72 SCD (0.64) MAPTNPC1RAB9APKMOPRK1
SCHEMBL21186178 0.71 RAB9A (0.72) MAPTNPC1RAB9APKMOPRK1
SCHEMBL21186001 0.71 MAPT (0.67) MAPTNPC1RAB9APKMOPRK1
SCHEMBL21186280 0.70 NPC1 (0.54) MAPTNPC1RAB9APKMOPRK1

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