SCHEMBL6415557

SCHEMBL6415557

CSc1ncccc1C(=O)N1CCC2(CC1)CC(OC(=O)NCC(C)C)=NO2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 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
SCHEMBL2399175 0.85 KMT2A (0.47) KMT2AALDH1A1MEN1L3MBTL1USP2
SCHEMBL6433711 0.84 AVPR1A (0.43) KMT2AALDH1A1MEN1LMNA
SCHEMBL6410155 0.80 HPGD (0.39) KMT2AALDH1A1MEN1L3MBTL1HPGD
SCHEMBL6410357 0.78 POLB (0.43) ALDH1A1USP2LMNA
SCHEMBL15309148 0.76 KMT2A (0.57) KMT2AALDH1A1MEN1L3MBTL1USP2
SCHEMBL6411397 0.76 ALDH1A1 (0.42) KMT2AALDH1A1MEN1L3MBTL1USP2
SCHEMBL6409874 0.75 FASN (0.40) KMT2AHPGD
SCHEMBL6409707 0.73 MAPK8 (0.51) ALDH1A1
SCHEMBL6416605 0.70 POLB (0.43) KMT2AALDH1A1MEN1LMNAGAA
SCHEMBL6410446 0.69 SLC6A9 (0.35) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 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