SCHEMBL11355229

SCHEMBL11355229

COC(=O)C1CSCN1C(=O)C(C)CSC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.48
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.32
MME P08473 1/20 0.32

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
SCHEMBL11490158 0.85 ACE (0.66) ACEKMT2A
SCHEMBL11502463 0.85 ACE (0.66) ACEKMT2A
SCHEMBL10974472 0.85 ACE (0.66) ACEKMT2A
SCHEMBL11458690 0.85 ACE (0.48) ACEKMT2A
SCHEMBL11458689 0.85 ACE (0.48) ACEKMT2A
SCHEMBL7377578 0.78 PEPD (0.48) ACEHSD17B10
SCHEMBL11155540 0.78 ACE (0.49) ACENPSR1HSD17B10
SCHEMBL11390755 0.78 ACE (0.53) ACE
SCHEMBL11223697 0.78 ACE (0.47) ACENPSR1HSD17B10
SCHEMBL11164632 0.77 ACE (0.48) ACENPSR1HSD17B10

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
US-4283407-A ANTIHYPERTENSIVE AGENTS SCIENCE UNION ET CIE (FR) 1981-08-11 US disclosed