SCHEMBL24630438

SCHEMBL24630438

Nc1ccc(N2CCOCC2)c(C2CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
GAA P10253 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
LGMN Q99538 2/20 0.45
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.43
POLB P06746 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
THRB P10828 2/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL29769079 1.00 MAPT (0.61) MAPTGAASMN1; SMN2LGMNALDH1A1
SCHEMBL21590200 0.81 MAPT (0.59) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL3676602 0.80 MAPT (0.42) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4377045 0.78 MAPT (0.71) MAPTGAASMN1; SMN2LGMNALDH1A1
SCHEMBL31491393 0.78 MAPT (0.71) MAPTGAASMN1; SMN2LGMNALDH1A1
SCHEMBL29715972 0.76 MAPT (1.00) MAPTGAASMN1; SMN2LGMNALDH1A1
SCHEMBL78364 0.76 MAPT (1.00) MAPTGAASMN1; SMN2LGMNALDH1A1
SCHEMBL23064481 0.76 ACHE (0.47) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL24630259 0.75 ALDH1A1 (0.65) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL2744374 0.75 MAPT (0.67) MAPTGAASMN1; SMN2LGMNALDH1A1

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
WO-2023011610-A1 BENZODIOXANE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 南京红云生物科技有限公司 2023-02-09 WO disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO disclosed