SCHEMBL6412732

SCHEMBL6412732

O=C(NCc1cccc(Cl)c1)OC1=NOC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR1 P21554 1/20 0.42
PLA2G1B P04054 1/20 0.40
PKM P14618 1/20 0.40
ATG4B Q9Y4P1 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
SCHEMBL6410801 0.88 KMT2A (0.48) KMT2AMEN1GAAPKM
SCHEMBL2400386 0.88 KMT2A (0.47) KMT2AMEN1GAAHTTMAPT
SCHEMBL6409450 0.84 KMT2A (0.46) KMT2AMEN1GAAHTTCNR1
SCHEMBL6411436 0.82 GAA (0.50) KMT2AMEN1GAAHTTCNR1
SCHEMBL6415534 0.81 HTT (0.42) KMT2AMEN1GAAHTTMAPT
SCHEMBL6415335 0.81 TSHR (0.44) KMT2AMEN1GAAHTTMAPT
SCHEMBL6409465 0.80 ATM (0.37) KMT2AMEN1HTTMAPTPLA2G1B
SCHEMBL6409851 0.79 SMN1; SMN2 (0.42) GAAHTTNPSR1PLA2G1BPKM
SCHEMBL6410060 0.78 PKM (0.50) KMT2AMEN1GAAMAPTPKM
SCHEMBL6409402 0.77 KMT2A (0.42) KMT2AMEN1GAACNR1

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-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP disclosed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO disclosed