SCHEMBL5012840

SCHEMBL5012840

FC(F)(F)c1ccc(C2=NOC3(CCN(OC(=S)Nc4cccc(C(F)(F)F)c4)CC3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 5/20 0.39
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
XBP1 P17861 1/20 0.38
KDM4E B2RXH2 2/20 0.38
IDO1 P14902 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL5012955 0.95 L3MBTL1 (0.43) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL5012909 0.94 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL5015849 0.94 MAPT (0.43) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL16175687 0.94 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL5015831 0.92 BRAF (0.40) KMT2AF2F10PRSS1
SCHEMBL5012872 0.91 KDM4E (0.41) L3MBTL1LMNAMAPTNPSR1TDP1
SCHEMBL5011295 0.89 MAPT (0.44) MEN1KMT2ALMNAMAPTGAA
SCHEMBL5012996 0.89 L3MBTL1 (0.45) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL5058861 0.86 TRPV1 (0.36) MAPTF2F10PRSS1
SCHEMBL5130556 0.86 MEN1 (0.55) L3MBTL1MEN1KMT2ALMNAMAPT

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