SCHEMBL21185997

SCHEMBL21185997

Nc1nc2ccc(Oc3cccc(Cl)c3)cc2s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.74
TP53 P04637 3/20 0.74
NPC1 O15118 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
MAPT P10636 2/20 0.74
HTT P42858 2/20 0.74
CYP3A4 P08684 5/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 2/20 0.54
GAA P10253 2/20 0.54
SCN5A Q14524 2/20 0.54
SCN9A Q15858 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
GMNN O75496 1/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL21186245 0.88 RAB9A (0.68) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL7285119 0.87 RAB9A (0.75) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL20568080 0.86 RAB9A (0.84) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL7285684 0.85 RAB9A (1.00) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL21186401 0.83 RAB9A (0.62) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL7292556 0.83 RAB9A (0.74) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL21186277 0.83 RAB9A (0.74) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL9722834 0.81 RAB9A (0.58) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL21186021 0.81 RAB9A (0.58) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL21186211 0.79 RAB9A (0.63) RAB9ATP53NPC1SMN1; 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