SCHEMBL5012811

SCHEMBL5012811

COc1cccc(C2=NOC3(CCN(OC(=S)Nc4ccc(C(C)(C)C)cc4)CC3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
STAT1 P42224 1/20 0.41
F10 P00742 2/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPK10 P53779 2/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
MAOB P27338 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL5012869 0.90 TDP1 (0.42) MAPTSMN1; SMN2HTTNPC1F10
SCHEMBL5012981 0.90 TP53 (0.46) TP53MAPTSMN1; SMN2HTTNPC1
SCHEMBL5014469 0.89 KMT2A (0.38) MAPTF10F2PRSS1KDM4E
SCHEMBL5015777 0.89 TDP1 (0.44) MAPTSMN1; SMN2HTTNPC1ALDH1A1
SCHEMBL5012288 0.88 LMNA (0.33) MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL5119339 0.88 MEN1 (0.44) TP53MAPTSMN1; SMN2HTTNPC1
SCHEMBL5012996 0.86 L3MBTL1 (0.45) MAPTSMN1; SMN2HTTLMNAMAPK1
SCHEMBL5014535 0.86 MAOA (0.46) MAPTHTTNPC1LMNAALDH1A1
SCHEMBL5014415 0.86 KMT2A (0.36) SMN1; SMN2HTTRECQLTDP1POLB
SCHEMBL5014426 0.85 KMT2A (0.38) MAPTSMN1; SMN2NPC1RAB9ALMNA

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