SCHEMBL21186277

SCHEMBL21186277

Nc1nc2ccc(Oc3cccc(F)c3)cc2s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.74
NPC1 O15118 3/20 0.74
TP53 P04637 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
MAPT P10636 2/20 0.74
HTT P42858 2/20 0.74
AXL P30530 1/20 0.62
GFER P55789 1/20 0.62
CYP3A4 P08684 5/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 2/20 0.57
SCN4A P35499 2/20 0.57
GAA P10253 2/20 0.57
GMNN O75496 1/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CYP2C9 P11712 1/20 0.57
PKM P14618 1/20 0.57

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
SCHEMBL21186247 0.88 RAB9A (0.68) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL6067934 0.87 RAB9A (0.75) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL31114771 0.87 RAB9A (0.75) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL20568080 0.86 RAB9A (0.84) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL7285684 0.85 RAB9A (1.00) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL21185997 0.83 RAB9A (0.74) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL7292556 0.83 RAB9A (0.74) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL21186020 0.81 GFER (0.63) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL21186019 0.81 AXL (0.63) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL21186270 0.79 RAB9A (0.68) RAB9ANPC1TP53SMN1; SMN2MAPT

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