SCHEMBL30968455

SCHEMBL30968455

CC(C)(C)OC(=O)N1CCNCC1c1nc2c(cc1F)CC(NC(=O)OCc1ccccc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 2/20 0.42
RORC P51449 4/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TLR4 O00206 1/20 0.36
GAA P10253 1/20 0.35
PARP1 P09874 1/20 0.35
NTSR1 P30989 1/20 0.35

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
SCHEMBL30968564 0.87 CA1 (0.44) CA1CA2ACHERORCCTSL
SCHEMBL28562370 0.86 CA1 (0.41) CA1CA2ACHERORCCTSL
SCHEMBL30968489 0.82 CA1 (0.45) CA1CA2ACHERORCCTSL
SCHEMBL30968474 0.81 CA1 (0.44) CA1CA2ACHERORCCTSL
SCHEMBL21684984 0.80 ACHE (0.45) CA1CA2ACHERORCCTSL
SCHEMBL20722673 0.80 ACHE (0.45) CA1CA2ACHERORCCTSL
SCHEMBL30968430 0.79 PARP1 (0.37) ALDH1A1MAPTMEN1KMT2APARP1
SCHEMBL28562416 0.77 PARP1 (0.43) ALDH1A1MEN1KMT2APARP1
SCHEMBL27620945 0.74 NPC1 (0.41) RORCCTSLL3MBTL1MEN1KMT2A
SCHEMBL21685740 0.73 ACHE (0.47) CA1CA2ACHECTSLCTSB

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