SCHEMBL5012297

SCHEMBL5012297

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 3/20 0.46
RECQL P46063 2/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 3/20 0.46
GRK2 P25098 2/20 0.44
PKM P14618 1/20 0.44
APAF1 O14727 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5014474 0.96 TDP1 (0.47) TDP1MAPTNPC1POLBRECQL
SCHEMBL16175499 0.95 TDP1 (0.46) TDP1MAPTNPC1POLBRECQL
SCHEMBL5012876 0.93 TUBB4A (0.46) TDP1MAPTNPC1POLBRECQL
SCHEMBL16175479 0.92 TDP1 (0.48) TDP1MAPTPOLBRECQLAPEX1
SCHEMBL5012957 0.91 TDP1 (0.45) TDP1MAPTNPC1POLBRECQL
SCHEMBL5012726 0.90 MAPT (0.47) TDP1MAPTNPC1POLBRECQL
SCHEMBL5014556 0.90 TDP1 (0.45) TDP1MAPTNPC1POLBRECQL
SCHEMBL5012246 0.90 MAPT (0.44) TDP1MAPTNPC1POLBRECQL
SCHEMBL5012263 0.90 HTT (0.46) TDP1MAPTNPC1POLBRECQL
SCHEMBL5011041 0.90 TDP1 (0.47) TDP1MAPTNPC1POLBRECQL

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