SCHEMBL8892315

SCHEMBL8892315

CCC(NC(=O)Cc1ccc(C)c(S(=O)(=O)NC(=S)NC)c1)c1ccoc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
KEAP1 Q14145 8/20 0.32
NFE2L2 Q16236 8/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 3/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL8891613 0.91 KEAP1 (0.33) KEAP1NFE2L2TDP1LMNAALDH1A1
SCHEMBL8892002 0.89 HTT (0.36) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8891348 0.89 ABCC9 (0.46) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8890579 0.89 ABCC9 (0.32) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8890597 0.88 ABCC8 (0.38) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8890552 0.86 KEAP1 (0.38) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8891410 0.84 KDM4E (0.41) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8894354 0.84 ABCC9 (0.34) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8891769 0.84 ABCC9 (0.33) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8890801 0.81 ABCC9 (0.34) 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