SCHEMBL6409939

SCHEMBL6409939

Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC(OC(=O)NCCc2ccc(Cl)c(Cl)c2)=NO3)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6409921 0.88 TRPV1 (0.48) ALDH1A1GAAPOLBSMN1; SMN2MEN1
SCHEMBL2402452 0.86 ALDH1A1 (0.51) ALDH1A1GAAPOLBSMN1; SMN2MEN1
SCHEMBL6409851 0.84 SMN1; SMN2 (0.42) ALDH1A1GAAPOLBSMN1; SMN2LMNA
SCHEMBL6411481 0.83 POLB (0.44) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL6411660 0.80 PKM (0.51) ALDH1A1GAAPOLBSMN1; SMN2MEN1
SCHEMBL6415335 0.78 TSHR (0.44) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL6409449 0.78 CYP2C19 (0.49) ALDH1A1GAAPOLBSMN1; SMN2MEN1
SCHEMBL6409805 0.77 NPSR1 (0.41) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL6409429 0.76 LMNA (0.41) ALDH1A1GAAPOLBSMN1; SMN2KMT2A
SCHEMBL6411124 0.76 ALDH1A1 (0.56) ALDH1A1GAAPOLBMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP disclosed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO disclosed