SCHEMBL31361344

SCHEMBL31361344

COc1ccc(CBr)cc1N(C)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 5/20 0.42
BCHE P06276 4/20 0.40
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
LDHA P00338 1/20 0.39
GAA P10253 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
SCHEMBL28672990 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AACHEBCHE
SCHEMBL28678688 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AACHEPOLB
SCHEMBL7078432 0.74 MRGPRX4 (0.46) ALDH1A1MEN1KMT2AACHEHTT
SCHEMBL7650416 0.73 PTGS1 (0.66) ALDH1A1ACHEPKMPOLBLDHA
SCHEMBL20734904 0.73 PTGS1 (0.57) ALDH1A1ACHELDHA
SCHEMBL7597341 0.72 MRGPRX4 (0.57) ALDH1A1LDHAGAA
SCHEMBL2536563 0.72 TSPO (0.67) ALDH1A1PKMPOLB
SCHEMBL18310131 0.71 SMN1; SMN2 (0.47) ALDH1A1MEN1KMT2AHTTLDHA
SCHEMBL1080853 0.70 CA2 (0.68) ALDH1A1POLBLDHA
SCHEMBL29559892 0.70 CA2 (0.68) ALDH1A1POLBLDHA

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-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 CN disclosed