SCHEMBL30968461

SCHEMBL30968461

O=C(N[C@H]1COc2nc(Cl)ccc2C1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ACHE P22303 2/20 0.47
EPHX1 P07099 1/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
DPP4 P27487 3/20 0.43
DPP7 Q9UHL4 3/20 0.43
KCNH2 Q12809 1/20 0.43
TLR4 O00206 1/20 0.41
P2RX7 Q99572 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28566232 1.00 ALDH1A1 (0.50) ALDH1A1GAATSHRCA1CA2
SCHEMBL28566229 1.00 ALDH1A1 (0.50) ALDH1A1GAATSHRCA1CA2
SCHEMBL20722904 0.83 P2RX7 (0.40) P2RX7
SCHEMBL20722902 0.83 P2RX7 (0.40) P2RX7
SCHEMBL21685858 0.82 DPP4 (0.43) ALDH1A1GAATSHRCA1CA2
SCHEMBL21685859 0.82 DPP4 (0.43) ALDH1A1GAATSHRCA1CA2
SCHEMBL20722953 0.82 DPP4 (0.43) ALDH1A1GAATSHRCA1CA2
SCHEMBL30060187 0.81 TP53 (0.52) ALDH1A1GAATSHRCA1CA2
SCHEMBL20731009 0.81 TP53 (0.52) ALDH1A1GAATSHRCA1CA2
SCHEMBL78362 0.80 ALDH1A1 (0.59) ALDH1A1GAATSHRCA1CA2

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