SCHEMBL29953526

SCHEMBL29953526

O=CCc1nc2ccccc2o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
TP53 P04637 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 3/20 0.58
LOXL2 Q9Y4K0 1/20 0.56
HTT P42858 1/20 0.49
GFER P55789 1/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PSMB8 P28062 1/20 0.42
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL1730801 1.00 MAPT (0.63) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL27984493 0.82 MAPT (0.70) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL7315076 0.81 NPC1 (0.63) MAPTNPC1RAB9ATP53SMN1; SMN2
Benzene SCHEMBL6030702 0.80 MAPT (0.61) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL28882874 0.80 NPC1 (0.61) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL2125044 0.79 MAPT (0.70) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9848762 0.79 NPC1 (0.70) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL1420033 0.78 TP53 (0.81) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL155002 0.78 MAPT (1.00) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL28518705 0.77 MAPT (0.58) MAPTNPC1RAB9ATP53SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336868-A1 COMPOSITIONS COMPRISING ADAMANTYL ESTER-CONTAINING COMPOUNDS THE PROCTER & GAMBLE COMPANY 2024-10-10 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed