SCHEMBL5012239

SCHEMBL5012239

CC(C)(C)c1ccc(C2=NOC3(CCN(OC(=S)NCC4CCCCC4)CC3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
KCNH2 Q12809 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
MIF P14174 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
EP300 Q09472 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5015803 0.91 KMT2A (0.34) KMT2AMEN1
SCHEMBL5011250 0.90 KMT2A (0.38) KMT2AMEN1
SCHEMBL5015734 0.88 KMT2A (0.44) KMT2AMEN1TDP1POLB
SCHEMBL5015792 0.88 POLB (0.40) KMT2AMEN1POLB
SCHEMBL5124118 0.87 KMT2A (0.38) KMT2AMEN1KCNH2CACNA1IEP300
SCHEMBL5012884 0.86 LMNA (0.39) KMT2AMEN1MIFPOLB
SCHEMBL5012291 0.85 LMNA (0.38) KMT2AMEN1MIFPOLB
SCHEMBL5012288 0.82 LMNA (0.33) KMT2AMIF
SCHEMBL5014415 0.80 KMT2A (0.36) KMT2ATDP1POLB
SCHEMBL5014426 0.79 KMT2A (0.38) KMT2AMEN1

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