SCHEMBL23637666

SCHEMBL23637666

c1ccc(COc2ccc(Cc3ccccn3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAOB P27338 4/20 0.53
MAOA P21397 2/20 0.53
KDM1A O60341 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
BCHE P06276 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 2/20 0.51

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
SCHEMBL29373231 0.84 L3MBTL1 (0.68) L3MBTL1ALDH1A1SMN1; SMN2MAOBMAOA
SCHEMBL64435 0.84 L3MBTL1 (0.68) L3MBTL1ALDH1A1SMN1; SMN2MAOBMAOA
SCHEMBL31236458 0.82 L3MBTL1 (0.66) L3MBTL1ALDH1A1SMN1; SMN2MAOBMAOA
Bromide SCHEMBL10759788 0.82 L3MBTL1 (0.66) L3MBTL1ALDH1A1SMN1; SMN2MAOBMAOA
SCHEMBL30021715 0.82 L3MBTL1 (0.66) L3MBTL1ALDH1A1SMN1; SMN2MAOBMAOA
SCHEMBL31276017 0.82 L3MBTL1 (0.66) L3MBTL1ALDH1A1MAOBMAOALMNA
SCHEMBL11856925 0.82 LMNA (0.69) L3MBTL1SMN1; SMN2MAOBMAOALMNA
Hydrochloric Acid SCHEMBL31087535 0.82 L3MBTL1 (0.71) L3MBTL1ALDH1A1MAOBMAOALMNA
SCHEMBL10599543 0.82 LMNA (0.69) L3MBTL1SMN1; SMN2MAOBMAOALMNA
SCHEMBL29985764 0.82 L3MBTL1 (0.66) L3MBTL1ALDH1A1SMN1; SMN2MAOBMAOA

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-2021141165-A1 AMINO ALCOHOL-BORON-BINOL COMPOSITE AND METHOD FOR PREPARING OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVE USING SAME (주)분자와물질 2021-07-15 WO disclosed