SCHEMBL8892866

SCHEMBL8892866

CCCOc1ccc(CC(=O)NC(C)c2cc[nH]c2)cc1S(=O)(=O)NC(=S)NC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
KMT2A Q03164 2/20 0.35
ACACB O00763 5/20 0.34
ACACA Q13085 4/20 0.34
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.32
TBXA2R P21731 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
SCHEMBL8893935 0.93 ABCC9 (0.39) ABCC9ABCC8KCNJ11GAAALDH1A1
SCHEMBL8891927 0.92 KEAP1 (0.37) KEAP1NFE2L2KMT2AACACBACACA
SCHEMBL8890364 0.91 ABCC9 (0.37) ABCC9ABCC8KCNJ11GAAALDH1A1
SCHEMBL8892439 0.90 ABCC9 (0.47) ABCC9ABCC8KCNJ11GAAALDH1A1
SCHEMBL8892152 0.88 ALDH1A1 (0.44) ABCC9ABCC8KCNJ11GAAALDH1A1
SCHEMBL8892054 0.86 HTT (0.37) ABCC9ABCC8KCNJ11GAAALDH1A1
SCHEMBL8890852 0.86 ABCC9 (0.38) ABCC9ABCC8KCNJ11GAAALDH1A1
SCHEMBL8891137 0.85 GAA (0.39) ABCC9ABCC8KCNJ11GAAALDH1A1
SCHEMBL8891698 0.85 GAA (0.39) ABCC9ABCC8KCNJ11GAAALDH1A1
SCHEMBL8891894 0.84 ALDH1A1 (0.37) GAAALDH1A1MAPTHPGDKMT2A

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