SCHEMBL8891172

SCHEMBL8891172

CCC(NC(=O)Cc1ccc(SC)c(S(=O)(=O)NC(=S)NC)c1)c1ccco1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CCR2 P41597 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8891767 0.91 KDM4E (0.34) KDM4EOPRM1OPRD1ALDH1A1GAA
SCHEMBL8891256 0.89 KDM4E (0.34) KDM4EOPRM1OPRD1ALDH1A1ABCC9
SCHEMBL8891410 0.88 KDM4E (0.41) KDM4EOPRM1OPRD1ALDH1A1ABCC9
SCHEMBL8891401 0.86 ABCC9 (0.47) KDM4EALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL8891006 0.85 LMNA (0.42) KDM4EALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL8890579 0.85 ABCC9 (0.32) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8890673 0.84 NPSR1 (0.43) KDM4EALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL8890794 0.83 ABCC9 (0.32) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8892035 0.83 LMNA (0.33) ALDH1A1ABCC9ABCC8KCNJ11LMNA
SCHEMBL8891719 0.82 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