SCHEMBL7319459

SCHEMBL7319459

Cc1ccc(CSC[C@H](N)C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
ACE P12821 1/20 0.46
ALDH1A1 P00352 3/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KIF11 P52732 1/20 0.42
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 2/20 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
SCHEMBL919742 0.87 KIF11 (0.56) ACEALDH1A1PPARGPPARAKIF11
SCHEMBL1158094 0.87 KIF11 (0.56) ACEALDH1A1PPARGPPARAKIF11
SCHEMBL1158095 0.87 KIF11 (0.56) ACEALDH1A1PPARGPPARAKIF11
Hydrochloric Acid SCHEMBL7323852 0.85 KIF11 (0.55) IDO1ACEALDH1A1PPARGPPARA
Hydrochloric Acid SCHEMBL27713539 0.85 KIF11 (0.55) IDO1ACEALDH1A1PPARGPPARA
SCHEMBL21955447 0.83 MEN1 (0.43) RAB9AMEN1KMT2AEPHX1
SCHEMBL20382878 0.83 EPHX1 (0.51) ACEALDH1A1KIF11LMNAEPHX1
SCHEMBL10519231 0.83 ALDH1A1 (0.49) IDO1ACEALDH1A1PPARGPPARA
SCHEMBL9848804 0.83 EPHX1 (0.53) IDO1ACEALDH1A1PPARGPPARA
SCHEMBL6951553 0.83 ACE (0.46) ACEALDH1A1PPARGPPARARAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262436-A Administering; enzyme inhibitor SCHERING CORPORATION (US) 1993-11-16 US disclosed
EP-0566157-A1 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1993-10-20 EP disclosed
US-5061710-A Atrial natriuretic factors SCHERING CORPORATION (US) 1991-10-29 US disclosed
US-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed
US-4801609-A Mercapto-acylamino acid antihypertensives SCHERING CORPORATION (US) 1989-01-31 US disclosed
EP-0254032-A2 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-01-27 EP disclosed