SCHEMBL8890927

SCHEMBL8890927

CCOc1ccc(CC(=O)NC(CC)c2nccs2)cc1S(=O)(=O)NC(=S)NC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
PTPRB P23467 3/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PKM P14618 2/20 0.35
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
MAPT P10636 1/20 0.34
F7 P08709 1/20 0.34
KCNB1 Q14721 1/20 0.34
KCNK3 O14649 1/20 0.34

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
SCHEMBL8891578 0.94 ALDH1A1 (0.39) ALDH1A1POLBLMNAMAPK1SMN1; SMN2
SCHEMBL8891743 0.93 LMNA (0.45) ALDH1A1POLBLMNAMAPK1SMN1; SMN2
SCHEMBL8892041 0.92 ALDH1A1 (0.48) ALDH1A1POLBLMNAMAPK1SMN1; SMN2
SCHEMBL8893258 0.91 ALDH1A1 (0.47) ALDH1A1POLBLMNAMAPK1SMN1; SMN2
SCHEMBL8891419 0.89 ALDH1A1 (0.36) ALDH1A1POLBLMNAMAPK1SMN1; SMN2
SCHEMBL8892248 0.87 ALDH1A1 (0.35) ALDH1A1POLBLMNAMAPK1SMN1; SMN2
SCHEMBL8894247 0.86 ALDH1A1 (0.39) ALDH1A1POLBLMNAMAPK1ABCC9
SCHEMBL8892236 0.85 ALDH1A1 (0.40) ALDH1A1POLBLMNAMAPK1SMN1; SMN2
SCHEMBL8891307 0.85 LMNA (0.46) ALDH1A1POLBLMNAMAPK1SMN1; SMN2
SCHEMBL8891930 0.84 ALDH1A1 (0.40) ALDH1A1POLBLMNAMAPK1SMN1; SMN2

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