SCHEMBL21186247

SCHEMBL21186247

Nc1nc2ccc(Oc3cc(F)cc(F)c3)cc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.68
NPC1 O15118 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
TP53 P04637 3/20 0.68
MAPT P10636 2/20 0.68
HTT P42858 2/20 0.68
AXL P30530 1/20 0.61
GFER P55789 1/20 0.61
CYP3A4 P08684 5/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 3/20 0.60
SCN4A P35499 3/20 0.60
GAA P10253 2/20 0.60
LMNA P02545 2/20 0.60
PKM P14618 2/20 0.60
GMNN O75496 1/20 0.60
USP2 O75604 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CYP2C9 P11712 1/20 0.60

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
SCHEMBL31114771 0.89 RAB9A (0.75) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6067934 0.89 RAB9A (0.75) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL20568080 0.89 RAB9A (0.84) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL21186277 0.88 RAB9A (0.74) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL21186245 0.82 RAB9A (0.68) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7285684 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL21186020 0.80 GFER (0.63) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL21186019 0.80 AXL (0.63) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL25306149 0.80 RAB9A (0.75) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL21186207 0.80 RAB9A (0.70) RAB9ANPC1SMN1; SMN2TP53MAPT

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