SCHEMBL4776900

SCHEMBL4776900

O=S(=O)(c1ccccc1)N1CC2CNCC(C1)O2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 2/20 0.45
NAMPT P43490 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL11835973 0.86 ALDH1A1 (0.52) CYP2C9ALDH1A1L3MBTL1TP53POLB
SCHEMBL28762510 0.84 BPTF (0.52) CYP2C9ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL1914984 0.84 BPTF (0.52) CYP2C9ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL14704709 0.84 BPTF (0.52) CYP2C9ALDH1A1L3MBTL1POLBKMT2A
Hydrochloric Acid SCHEMBL23091800 0.83 BPTF (0.50) CYP2C9ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL6274848 0.80 CHRNB2 (0.50) CYP2C9ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL13229554 0.79 CYP2C9 (0.53) CYP2C9ALDH1A1L3MBTL1TP53POLB
SCHEMBL1619341 0.77 TSHR (0.52) CYP2C9ALDH1A1L3MBTL1TP53POLB
SCHEMBL12207380 0.74 CYP2C9 (0.57) CYP2C9ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL11776237 0.74 CYP2C9 (0.52) CYP2C9ALDH1A1L3MBTL1TP53POLB

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-1893619-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTMIAS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006135316-A1 New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-21 WO disclosed