SCHEMBL6430541

SCHEMBL6430541

O=C(NCc1cccc2ccccc12)OC1=NOC2(CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 2/20 0.36
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
TGM2 P21980 1/20 0.35
TSHR P16473 1/20 0.35
MMP2 P08253 1/20 0.34
ADAM17 P78536 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7108511 0.90 ALDH1A1 (0.43) EPHX2LMNAALDH1A1MAPK1KMT2A
SCHEMBL2404702 0.86 EPHX2 (0.41) EPHX2LMNAALDH1A1L3MBTL1MAPK1
SCHEMBL6413066 0.83 EPHX2 (0.43) EPHX2LMNAALDH1A1L3MBTL1MAPK1
SCHEMBL6414411 0.82 LMNA (0.42) EPHX2LMNAALDH1A1L3MBTL1MAPK1
SCHEMBL6410956 0.79 LMNA (0.41) LMNAALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL6411079 0.78 LMNA (0.44) LMNAALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL6409435 0.78 LMNA (0.38) LMNAALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL6414303 0.78 CYP3A4 (0.41) LMNAALDH1A1MAPK1KMT2AMEN1
SCHEMBL6411568 0.76 MAPT (0.50) LMNAALDH1A1MAPK1KMT2AMEN1
SCHEMBL6410801 0.76 KMT2A (0.48) LMNAALDH1A1L3MBTL1MAPK1KMT2A

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 2 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