SCHEMBL28958487

SCHEMBL28958487

COc1cc(CNSc2ccccc2[N+](=O)[O-])cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
GAA P10253 4/20 0.48
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALPG P10696 1/20 0.48
CYP19A1 P11511 1/20 0.46
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 4/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 3/20 0.42
PTPN1 P18031 1/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 4/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 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
SCHEMBL30919367 0.76 MEN1 (0.58) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL15709294 0.76 MEN1 (0.58) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL28881631 0.76 PTGS1 (0.49) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL28880855 0.76 MEN1 (0.48) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL20390494 0.74 ALDH1A1 (0.60) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL28880810 0.73 HPGD (0.61) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL13530383 0.73 MEN1 (0.43) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL24326253 0.71 MAPT (0.52) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL24997419 0.71 MAPT (0.50) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL8996846 0.70 SMN1; SMN2 (0.51) MAPTALDH1A1KMT2AMEN1GAA

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
CN-115160285-A Thioamides ALDH 2 Agonist, preparation method and application 云南大学 2022-10-11 CN disclosed