SCHEMBL1457697

SCHEMBL1457697

COc1ccccc1NC(=S)N1CCC2(CC1)CC(OC(=O)NCc1ccc(OC)c(OC)c1)=NO2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1457238 0.93 ALDH1A1 (0.41) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL1457159 0.93 GAA (0.41) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL1457551 0.93 ALDH1A1 (0.41) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL1457524 0.92 ALDH1A1 (0.42) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL1456891 0.92 PDGFRB (0.41) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL1457254 0.92 LMNA (0.40) KMT2AGAASMN1; SMN2ALDH1A1PDGFRB
SCHEMBL1457496 0.90 ALDH1A1 (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1457630 0.88 SMN1; SMN2 (0.46) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL1457253 0.88 ALDH1A1 (0.53) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL5119733 0.87 KMT2A (0.46) KMT2AMEN1GAASMN1; SMN2ALDH1A1

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-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-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