SCHEMBL4263516

SCHEMBL4263516

COc1ccccc1NC(=S)N1CCC2(CC1)CN(Cc1cccc(Br)c1)C(=O)O2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 7/20 0.47
MEN1 O00255 5/20 0.47
ALDH1A1 P00352 3/20 0.43
FAAH O00519 1/20 0.43
GAA P10253 2/20 0.43
POLB P06746 2/20 0.43
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4257384 0.82 LMNA (0.38) SMN1; SMN2KMT2AALDH1A1GAAPOLB
SCHEMBL4261752 0.82 LMNA (0.48) KMT2AMEN1ALDH1A1ATMLMNA
SCHEMBL1086328 0.82 POLB (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1FAAH
SCHEMBL1086488 0.80 KDM4E (0.42) SMN1; SMN2KMT2AMEN1ALDH1A1FAAH
SCHEMBL1086069 0.79 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL4256335 0.78 SIRT2 (0.42) SMN1; SMN2FAAHKDM4E
SCHEMBL1086244 0.77 NPC1 (0.42) SMN1; SMN2KMT2AMEN1ALDH1A1FAAH
SCHEMBL1086125 0.77 KDM4E (0.45) SMN1; SMN2KMT2AMEN1ALDH1A1FAAH
SCHEMBL1086302 0.77 MCHR1 (0.48) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL1086487 0.76 SIRT2 (0.42) SMN1; SMN2KMT2AMEN1FAAHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP claimed
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP claimed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO claimed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP disclosed
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP disclosed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO disclosed