SCHEMBL8892041

SCHEMBL8892041

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
PTPRB P23467 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
PKM P14618 3/20 0.35
TBXA2R P21731 2/20 0.35
F7 P08709 1/20 0.34
KCNB1 Q14721 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSA P10619 1/20 0.34
GAA P10253 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
SCHEMBL8892236 0.93 ALDH1A1 (0.40) ALDH1A1POLBSMN1; SMN2LMNAMAPK1
SCHEMBL8891307 0.93 LMNA (0.46) ALDH1A1POLBSMN1; SMN2LMNAMAPK1
SCHEMBL8890927 0.92 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2LMNAMAPK1
SCHEMBL8891702 0.90 ALDH1A1 (0.48) ALDH1A1POLBSMN1; SMN2LMNAMAPK1
SCHEMBL8894257 0.89 ALDH1A1 (0.37) ALDH1A1POLBSMN1; SMN2LMNAMAPK1
SCHEMBL8891118 0.86 ALDH1A1 (0.36) ALDH1A1POLBSMN1; SMN2LMNAMAPK1
SCHEMBL8892265 0.85 POLB (0.40) ALDH1A1POLBLMNAMAPK1PTPRB
SCHEMBL8891578 0.85 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2LMNAMAPK1
SCHEMBL8891743 0.85 LMNA (0.45) ALDH1A1POLBSMN1; SMN2LMNAMAPK1
SCHEMBL8893099 0.84 POLB (0.41) ALDH1A1POLBSMN1; SMN2LMNAMAPK1

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