SCHEMBL28586342

SCHEMBL28586342

COC(=O)C(N)Cc1ccc(Cl)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.37
KIF11 P52732 1/20 0.35
PDCD1LG2 Q9BQ51 5/20 0.34
CD274 Q9NZQ7 5/20 0.34
AKT3 Q9Y243 1/20 0.34
HDAC8 Q9BY41 3/20 0.33

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
SCHEMBL20732114 1.00 PTGS2 (0.41) PTGS2MEN1MAPTKMT2AL3MBTL1
SCHEMBL30060129 1.00 PTGS2 (0.41) PTGS2MEN1MAPTKMT2AL3MBTL1
SCHEMBL31582778 0.84 L3MBTL1 (0.42) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL20722890 0.81 USP2 (0.45) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL20722892 0.81 USP2 (0.45) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL29223124 0.78 PTGS2 (0.41) PTGS2MAPTALDH1A1KIF11
SCHEMBL3751401 0.75 HDAC8 (0.56) HDAC8
SCHEMBL2895605 0.75 HDAC8 (0.56) HDAC8
SCHEMBL2895608 0.75 HDAC8 (0.56) HDAC8
Hydrochloric Acid SCHEMBL6560412 0.74 PTGS2 (0.41) PTGS2ALDH1A1

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-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed
CN-112867712-A Carboxamides as ubiquitin-specific protease inhibitors 瓦洛早期发现股份有限公司 2021-05-28 CN disclosed