SCHEMBL8892844

SCHEMBL8892844

CCOc1ccc(CC(=O)NC(C)c2ccoc2)cc1S(=O)(=O)NC(=S)NC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 3/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL8891698 0.93 GAA (0.39) ABCC9ABCC8KCNJ11KMT2AALDH1A1
SCHEMBL8891432 0.91 ALDH1A1 (0.37) KMT2AALDH1A1GAAPOLBLMNA
SCHEMBL8890978 0.91 ABCC9 (0.47) ABCC9ABCC8KCNJ11KMT2AALDH1A1
SCHEMBL8890597 0.91 ABCC8 (0.38) ABCC9ABCC8KCNJ11KMT2AALDH1A1
SCHEMBL8891396 0.88 ALDH1A1 (0.46) ABCC9ABCC8KCNJ11KMT2AALDH1A1
SCHEMBL8892002 0.87 HTT (0.36) ABCC9ABCC8KCNJ11KMT2AALDH1A1
SCHEMBL8893286 0.85 ALDH1A1 (0.40) ABCC9ABCC8KCNJ11KMT2AALDH1A1
SCHEMBL8891687 0.85 LMNA (0.43) ABCC9ABCC8KCNJ11KMT2AALDH1A1
SCHEMBL8892270 0.84 KEAP1 (0.39) KMT2AALDH1A1MAPTGAAPOLB
SCHEMBL8893935 0.84 ABCC9 (0.39) ABCC9ABCC8KCNJ11KMT2AALDH1A1

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