SCHEMBL21186207

SCHEMBL21186207

Nc1nc2ccc(Oc3cncnc3)cc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.70
NPC1 O15118 4/20 0.70
TP53 P04637 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
MAPT P10636 2/20 0.70
HTT P42858 2/20 0.70
CYP3A4 P08684 5/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 1/20 0.62
SCN4A P35499 3/20 0.57
HSD17B10 Q99714 2/20 0.57
GAA P10253 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 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
SCHEMBL20568080 0.90 RAB9A (0.84) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL2245727 0.85 RAB9A (0.72) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL31114514 0.84 RAB9A (0.75) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL25306149 0.84 RAB9A (0.75) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL21186401 0.84 RAB9A (0.62) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL14024770 0.84 RAB9A (0.62) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL7285684 0.83 RAB9A (1.00) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL6067934 0.81 RAB9A (0.75) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL9722831 0.81 RAB9A (0.75) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL7286497 0.81 CYP3A4 (0.82) 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