SCHEMBL5014535

SCHEMBL5014535

COc1cccc(NC(=S)ON2CCC3(CC2)CC(c2ccccc2)=NO3)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
TDP1 Q9NUW8 4/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 2/20 0.43
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
NPY2R P49146 1/20 0.43
HTT P42858 3/20 0.42
GRK2 P25098 2/20 0.41
PKM P14618 1/20 0.41
APAF1 O14727 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
SCHEMBL5015777 0.96 TDP1 (0.44) MAOATDP1MAPTNPC1RECQL
SCHEMBL5012869 0.95 TDP1 (0.42) MAOATDP1MAPTNPC1RECQL
SCHEMBL16175660 0.93 RAB9A (0.44) MAOATDP1MAPTNPC1RECQL
SCHEMBL5015801 0.92 TDP1 (0.45) TDP1MAPTRECQLPOLBAPEX1
SCHEMBL5012872 0.90 KDM4E (0.41) MAOATDP1MAPTNPC1RECQL
SCHEMBL5012297 0.89 TDP1 (0.47) TDP1MAPTNPC1RECQLPOLB
SCHEMBL5014466 0.88 CHRNB4 (0.40) TDP1MAPTRECQLPOLBHTT
SCHEMBL5012996 0.88 L3MBTL1 (0.45) TDP1MAPTRECQLPOLBAPEX1
SCHEMBL5012308 0.87 MAPT (0.44) TDP1MAPTNPC1RECQLPOLB
SCHEMBL5124768 0.87 MAPT (0.53) MAOATDP1MAPTNPC1POLB

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