SCHEMBL8890794

SCHEMBL8890794

CCC(NC(=O)Cc1ccc(SC)c(S(=O)(=O)NC(=S)NC)c1)c1ccc[nH]1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8891963 0.91 AGTR1 (0.31)
SCHEMBL8892350 0.90 ABCC9 (0.33) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8890801 0.89 ABCC9 (0.34) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8901725 0.86 ABCC9 (0.46) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8890783 0.85 ABCC8 (0.38) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8891719 0.84 ABCC9 (0.32) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8890440 0.84 GAA (0.38) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8891172 0.83 KDM4E (0.33) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8892035 0.83 LMNA (0.33) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8890579 0.81 ABCC9 (0.32) ABCC9ABCC8KCNJ11GAAKMT2A

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-5607976-A ANNTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed