Sugi Predict

Sugi Predict / Compounds / SCHEMBL27410348

SCHEMBL27410348

SCHEMBL27410348

CC(CCOC(C)(C)CCn1cc(CNC(=O)CCCC#Cc2cnc(S(C)(=O)=O)nc2)nn1)CNC(=O)COCC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PAX8 Q06710 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL27409296 0.79 — —
SCHEMBL27410342 0.77 CA1 (0.44) CA1CA2KDM4EGLAGAA
SCHEMBL22561476 0.77 FOLH1 (0.34) —
SCHEMBL27189806 0.77 FOLH1 (0.34) —
SCHEMBL22618763 0.77 FOLH1 (0.34) —
SCHEMBL27189815 0.74 DGAT1 (0.35) —
SCHEMBL29293332 0.73 — —
SCHEMBL27410347 0.73 FOLH1 (0.32) —
SCHEMBL26528591 0.72 CA1 (0.42) CA1CA2KDM4EGLAGAA
SCHEMBL23193234 0.71 FURIN (0.32) —

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