SCHEMBL5012236

SCHEMBL5012236

O=C(Nc1ccccc1Oc1ccccc1)ON1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 2/20 0.39
ADRA2C P18825 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL16175756 0.94 L3MBTL1 (0.41) GAAPKMKMT2ASMN1; SMN2MEN1
SCHEMBL5012830 0.94 KMT2A (0.42) GAAPKMKMT2ASMN1; SMN2MEN1
SCHEMBL5012789 0.92 PYGM (0.41) GAAPKMKMT2AMEN1TSHR
SCHEMBL5012271 0.91 CHRM3 (0.38) GAAPKMKMT2ASMN1; SMN2MEN1
SCHEMBL5012815 0.91 CHRM3 (0.39) GAAPKMKMT2ASMN1; SMN2MEN1
SCHEMBL5012978 0.89 ITGB1 (0.41) PKMKMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL5117476 0.86 S1PR2 (0.46) GAAPKMKMT2ASMN1; SMN2MEN1
SCHEMBL5012864 0.85 MAPT (0.44) PKMKMT2ASMN1; SMN2MEN1TSHR
SCHEMBL5012219 0.85 GPR119 (0.40) KMT2A
SCHEMBL5012237 0.85 KMT2A (0.43) KMT2APOLB

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