SCHEMBL28634281

SCHEMBL28634281

COC(=O)CC[S+]([O-])c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
POLB P06746 3/20 0.47
ALDH1A1 P00352 3/20 0.47
PTGS2 P35354 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2C19 P33261 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL17550632 0.85 MAPT (0.48) MAPTPOLBALDH1A1PTGS2BCL9
SCHEMBL28618738 0.80 HTT (0.50) MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL28632633 0.80 MAPT (0.42) MAPTALDH1A1PTGS2MEN1KMT2A
SCHEMBL28614783 0.80 CA12 (0.43) MAPTALDH1A1MEN1KMT2A
SCHEMBL28615596 0.80 HPGD (0.50) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3581283 0.76 TSHR (0.52) MAPTPOLBALDH1A1MAPK1CYP2C19
SCHEMBL1350027 0.75 MAPT (0.57) MAPTPOLBALDH1A1PTGS2BCL9
SCHEMBL27819929 0.75 BCL9 (0.58) MAPTPOLBALDH1A1PTGS2BCL9
SCHEMBL23732969 0.73 MAPT (0.49) MAPTALDH1A1BCL9CTNNB1RAB9A
SCHEMBL11142155 0.73 TSHR (0.49) MAPTPOLBALDH1A1MAPK1CYP2C19

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
CN-113307753-B Preparation method of thioether derivative 华侨大学 2023-03-07 CN disclosed
CN-113307753-A Preparation method of thioether derivative 华侨大学 2021-08-27 CN disclosed