SCHEMBL1457633

SCHEMBL1457633

CSc1ccccc1NC(=S)N1CCC2(CC1)CC(OC(=O)NCc1ccc(Cl)cc1)=NO2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
POLB P06746 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX12 P18054 1/20 0.35
GAA P10253 2/20 0.34
GLA P06280 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
SCHEMBL1457555 0.90 GAA (0.44) LMNAKMT2AMEN1POLBHTT
SCHEMBL1457531 0.89 KMT2A (0.37) LMNAMAPTHPGDL3MBTL1KMT2A
SCHEMBL1457524 0.88 ALDH1A1 (0.42) LMNAMAPTHPGDKMT2AMEN1
SCHEMBL1457213 0.87 KMT2A (0.43) LMNAMAPTL3MBTL1KMT2AMEN1
SCHEMBL1457432 0.87 MEN1 (0.45) LMNAMAPTKMT2AMEN1POLB
SCHEMBL5119685 0.86 RAB9A (0.39) LMNAMAPTHPGDL3MBTL1KMT2A
SCHEMBL1457145 0.84 NPC1 (0.47) LMNAMAPTHPGDL3MBTL1KMT2A
SCHEMBL1457423 0.83 ALDH1A1 (0.44) LMNAMAPTKMT2AMEN1POLB
SCHEMBL1457509 0.82 ALDH1A1 (0.42) LMNAMAPTHPGDL3MBTL1KMT2A
SCHEMBL1457500 0.82 POLB (0.47) LMNAMAPTHPGDL3MBTL1KMT2A

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-2292625-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-12-25 EP claimed
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP claimed
EP-1893620-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2008-03-05 EP claimed
WO-2006122769-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-2292625-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-12-25 EP disclosed
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP disclosed