SCHEMBL5012909

SCHEMBL5012909

FC(F)(F)c1cccc(NC(=S)ON2CCC3(CC2)CC(c2ccccc2)=NO3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 5/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
XBP1 P17861 2/20 0.38
POLB P06746 1/20 0.38
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR3 Q99500 1/20 0.38

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
SCHEMBL5012840 0.94 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL16175687 0.92 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL5015849 0.92 MAPT (0.43) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL5012955 0.91 L3MBTL1 (0.43) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL5012996 0.91 L3MBTL1 (0.45) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL5015831 0.90 BRAF (0.40) KMT2A
SCHEMBL5011313 0.89 MAPT (0.46) MEN1KMT2ALMNATRPV1MAPT
SCHEMBL5014466 0.87 CHRNB4 (0.40) KMT2AMAPTKDM4ENPSR1TDP1
SCHEMBL5125810 0.86 MEN1 (0.55) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL5012872 0.85 KDM4E (0.41) L3MBTL1LMNAMAPTKDM4ENPSR1

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-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed