SCHEMBL5014379

SCHEMBL5014379

COc1cccc(C2=NOC3(CCN(OC(=O)Nc4ccc(SC)cc4)CC3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
RECQL P46063 2/20 0.42
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 2/20 0.42
F2 P00734 2/20 0.41
F10 P00742 2/20 0.41
PRSS1 P07477 2/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK10 P53779 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.41
STK10 O94804 1/20 0.41
GSK3B P49841 1/20 0.41
SLK Q9H2G2 1/20 0.41
PKM P14618 1/20 0.41
GRK2 P25098 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL5015771 0.92 SMN1; SMN2 (0.48) TDP1RECQLPOLBAPEX1HTT
SCHEMBL5014439 0.92 TDP1 (0.47) TDP1RECQLPOLBAPEX1HTT
SCHEMBL5015851 0.90 SMN1; SMN2 (0.44) TDP1RECQLPOLBAPEX1HTT
SCHEMBL16175499 0.90 TDP1 (0.46) TDP1RECQLPOLBAPEX1HTT
SCHEMBL5013010 0.90 MAPT (0.45) TDP1RECQLPOLBAPEX1HTT
SCHEMBL5012918 0.90 CNR1 (0.48) TDP1RECQLPOLBAPEX1HTT
SCHEMBL5012220 0.90 HTT (0.43) TDP1RECQLPOLBAPEX1HTT
SCHEMBL5014474 0.89 TDP1 (0.47) TDP1RECQLPOLBAPEX1HTT
SCHEMBL5015776 0.89 HTT (0.38) TDP1POLBHTTF2F10
SCHEMBL5012246 0.89 MAPT (0.44) TDP1RECQLPOLBAPEX1HTT

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