SCHEMBL6412295

SCHEMBL6412295

O=C(O)OC1=NOC2(CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
EPHX2 P34913 3/20 0.43
LIPE Q05469 1/20 0.43
PRCP P42785 2/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
SCN9A Q15858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6410962 0.87 PKM (0.50) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6410874 0.86 PKM (0.46) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL6410522 0.86 MEN1 (0.53) MEN1KMT2AEPHX2LIPEPRCP
SCHEMBL6417720 0.85 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL6409449 0.84 CYP2C19 (0.49) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL6410302 0.84 SMN1; SMN2 (0.58) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL6410885 0.84 EPHX2 (0.58) MEN1KMT2AEPHX2LIPEPRCP
SCHEMBL6410851 0.82 HSD11B1 (0.47) EPHX2SCN9A
SCHEMBL6409740 0.82 LIPE (0.45) MEN1KMT2AEPHX2LIPEPRCP
SCHEMBL6410676 0.82 MEN1 (0.41) MEN1KMT2AEPHX2LIPEPRCP

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 1 patent. 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 disclosed