SCHEMBL8891698

SCHEMBL8891698

CCCOc1ccc(CC(=O)NC(C)c2ccoc2)cc1S(=O)(=O)NC(=S)NC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.35
ACACA Q13085 4/20 0.34
ACACB O00763 4/20 0.34
MEN1 O00255 2/20 0.33
HTT P42858 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
SCHEMBL8892844 0.93 ABCC9 (0.39) GAAALDH1A1LMNAMAPTHPGD
SCHEMBL8892270 0.92 KEAP1 (0.39) GAAALDH1A1LMNAMAPTHPGD
SCHEMBL8890552 0.91 KEAP1 (0.38) GAAALDH1A1LMNAMAPTHPGD
SCHEMBL8890978 0.90 ABCC9 (0.47) GAAALDH1A1TDP1L3MBTL1ABCC9
SCHEMBL8892152 0.88 ALDH1A1 (0.44) GAAALDH1A1LMNAMAPTHPGD
SCHEMBL8894254 0.86 NPSR1 (0.44) GAAALDH1A1LMNAMAPTHPGD
SCHEMBL8890852 0.86 ABCC9 (0.38) GAAALDH1A1LMNAMAPTHPGD
SCHEMBL8892002 0.85 HTT (0.36) GAAALDH1A1LMNAMAPTHPGD
SCHEMBL8892866 0.85 ABCC9 (0.38) GAAALDH1A1LMNAMAPTHPGD
SCHEMBL8891432 0.84 ALDH1A1 (0.37) GAAALDH1A1LMNAKEAP1NFE2L2

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