SCHEMBL29286143

SCHEMBL29286143

O=C(NC1COc2cc(Br)cc(F)c2C1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ACHE P22303 2/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 2/20 0.45
EPHX1 P07099 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
TLR4 O00206 1/20 0.39
KDM1A O60341 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
SCHEMBL30061462 1.00 CA1 (0.47) CA1CA2ACHEALDH1A1GAA
SCHEMBL30061393 1.00 CA1 (0.47) CA1CA2ACHEALDH1A1GAA
SCHEMBL21685973 1.00 CA1 (0.47) CA1CA2ACHEALDH1A1GAA
SCHEMBL29286109 0.82 CA1 (0.49) CA1CA2ACHEALDH1A1GAA
SCHEMBL20732012 0.82 CA1 (0.49) CA1CA2ACHEALDH1A1GAA
SCHEMBL30059869 0.82 CA1 (0.49) CA1CA2ACHEALDH1A1GAA
SCHEMBL20722898 0.82 CA1 (0.49) CA1CA2ACHEALDH1A1GAA
SCHEMBL20732118 0.81 CA1 (0.57) CA1CA2ACHEALDH1A1GAA
SCHEMBL30968496 0.81 CA1 (0.57) CA1CA2ACHEALDH1A1GAA
SCHEMBL20722605 0.81 CA1 (0.42) 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