SCHEMBL10375806

SCHEMBL10375806

CNC(=S)N(C(=O)[C@@H](N)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](CCCCN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.44
▸ LMNA P02545 4/20 0.43
▸ GAA P10253 2/20 0.43
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ATM Q13315 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38

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
SCHEMBL10373796 0.83 ALDH1A1 (0.45) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL7329311 0.73 ALDH1A1 (0.53) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL27920888 0.69 MC4R (0.52) —
SCHEMBL27920904 0.69 MC4R (0.52) —
SCHEMBL27920890 0.69 MC4R (0.52) —
SCHEMBL7354500 0.68 LMNA (0.60) ALDH1A1LMNAGAAKMT2AMEN1
Acetic Acid SCHEMBL4291054 0.68 SLC7A5 (0.49) —
SCHEMBL7319330 0.68 ALDH1A1 (0.53) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL6275119 0.67 SLC7A5 (0.51) —
SCHEMBL9556385 0.67 ALDH1A1 (0.58) ALDH1A1LMNAGAAKMT2AMEN1

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
EP-0380805-A1 Renin inhibitors containing C-terminal dihydroxy amides WARNER-LAMBERT COMPANY (US) 1990-08-08 — — EP disclosed
Send feedback