SCHEMBL5012830

SCHEMBL5012830

Cc1ccc(C2=NOC3(CCN(OC(=O)Nc4ccccc4Oc4ccccc4)CC3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
RECQL P46063 1/20 0.41
GAA P10253 3/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NAMPT P43490 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5012236 0.94 GAA (0.42) KMT2ARECQLGAAMEN1SMN1; SMN2
SCHEMBL16175756 0.91 L3MBTL1 (0.41) KMT2ARECQLGAAMEN1SMN1; SMN2
SCHEMBL5012815 0.91 CHRM3 (0.39) KMT2ARECQLGAAMEN1SMN1; SMN2
SCHEMBL5012814 0.90 KMT2A (0.42) KMT2AMEN1SMN1; SMN2KDM4EPKM
SCHEMBL5012271 0.89 CHRM3 (0.38) KMT2ARECQLGAAMEN1SMN1; SMN2
SCHEMBL5012789 0.88 PYGM (0.41) KMT2ARECQLGAAMEN1PKM
SCHEMBL5121952 0.88 S1PR2 (0.47) KMT2ARECQLGAAMEN1SMN1; SMN2
SCHEMBL5012813 0.88 MAPT (0.42) KMT2AGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL5014388 0.87 KMT2A (0.43) KMT2A
SCHEMBL16175752 0.85 KMT2A (0.42) KMT2AGAAMEN1TSHR

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