SCHEMBL27410602

SCHEMBL27410602

CC(CCOCCN=[N+]=[N-])NC(=O)COCC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.40
▸ MAPT P10636 5/20 0.38
▸ TDP1 Q9NUW8 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ SIRT1 Q96EB6 6/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 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
SCHEMBL20529545 0.84 CA1 (0.41) CA1CA2SIRT5MAPTTDP1
SCHEMBL20529548 0.84 CA1 (0.41) CA1CA2SIRT5MAPTTDP1
SCHEMBL27410339 0.83 CA1 (0.51) CA1CA2SIRT5MAPTTDP1
SCHEMBL27410343 0.83 CA1 (0.53) CA1CA2SIRT5MAPTTDP1
SCHEMBL30983336 0.79 CA1 (0.41) CA1CA2SIRT5MAPTTDP1
SCHEMBL22618827 0.79 C3AR1 (0.41) SIRT1SIRT2
SCHEMBL21163027 0.78 CA1 (0.43) CA1CA2SIRT5MAPTTDP1
SCHEMBL22618772 0.78 FURIN (0.40) SIRT1SIRT2
SCHEMBL16424832 0.78 SIRT5 (0.43) CA1CA2SIRT5MAPTTDP1
SCHEMBL27410342 0.77 CA1 (0.44) CA1CA2SIRT5MAPTTDP1

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
WO-2024123914-A1 PROCESS FOR MAKING ANTIBODY-DRUG CONJUGATES MERCK SHARP & DOHME LLC (US) 2024-06-13 — — WO disclosed
Send feedback