SCHEMBL30968496

SCHEMBL30968496

O=C(NC1CCc2cc(Br)cc(F)c2C1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
ACHE P22303 2/20 0.57
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
TLR4 O00206 1/20 0.45
EPHX1 P07099 1/20 0.45
DPP4 P27487 5/20 0.41
DPP7 Q9UHL4 5/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
KCNH2 Q12809 3/20 0.40

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
SCHEMBL20732118 1.00 CA1 (0.57) CA1CA2ACHEALDH1A1GAA
SCHEMBL29626289 0.87 CA1 (0.56) CA1CA2ACHEALDH1A1GAA
SCHEMBL28576386 0.83 CA1 (0.61) CA1CA2ACHEALDH1A1GAA
SCHEMBL17549529 0.83 CA1 (0.61) CA1CA2ACHEALDH1A1GAA
SCHEMBL30059982 0.83 CA1 (0.61) CA1CA2ACHEALDH1A1GAA
SCHEMBL23938186 0.83 CA1 (0.61) CA1CA2ACHEALDH1A1GAA
SCHEMBL30968514 0.83 CA1 (0.61) CA1CA2ACHEALDH1A1GAA
SCHEMBL30061424 0.83 CA1 (0.61) CA1CA2ACHEALDH1A1GAA
SCHEMBL28934875 0.82 CA1 (0.56) CA1CA2ACHEALDH1A1GAA
SCHEMBL21685973 0.81 CA1 (0.47) CA1CA2ACHEALDH1A1GAA

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