SCHEMBL29286113

SCHEMBL29286113

COC(=O)C(N)Cc1cnc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
PTGS2 P35354 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC8 Q9BY41 3/20 0.35
AKT3 Q9Y243 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
CASR P41180 1/20 0.33
RECQL P46063 1/20 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
SCHEMBL20731991 1.00 MAPK1 (0.37) MAPK1PTGS2ALDH1A1HDAC8AKT3
SCHEMBL20722978 0.82 USP2 (0.47) ALDH1A1RECQL
SCHEMBL20722980 0.82 USP2 (0.47) ALDH1A1RECQL
SCHEMBL29223124 0.77 PTGS2 (0.41) MAPK1PTGS2ALDH1A1CASR
SCHEMBL2895608 0.77 HDAC8 (0.56) HDAC8
SCHEMBL3751401 0.77 HDAC8 (0.56) HDAC8
SCHEMBL2895605 0.77 HDAC8 (0.56) HDAC8
SCHEMBL23387519 0.75 HDAC8 (0.48) ALDH1A1HDAC8
Hydrochloric Acid SCHEMBL3740720 0.75 HDAC8 (0.58) HDAC8
Hydrochloric Acid SCHEMBL3751396 0.75 HDAC8 (0.58) HDAC8

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-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