SCHEMBL5316692

SCHEMBL5316692

[CH2]CCS(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 4/20 0.47
CA12 O43570 3/20 0.47
CYP19A1 P11511 3/20 0.46
ALDH1A1 P00352 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
IDO1 P14902 1/20 0.39
PTGS2 P35354 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL8333388 0.84 MAPT (0.53) MAPTCA1CA2CA9CA12
SCHEMBL1018068 0.81 MAPT (0.50) MAPTCA1CA2CA9CA12
SCHEMBL2098230 0.81 CYP19A1 (0.50) MAPTCA1CA2CA9CA12
SCHEMBL10409572 0.81 MAPT (0.50) MAPTCA1CA2CA9CA12
SCHEMBL1014212 0.81 CA2 (0.58) MAPTCA1CA2CA9CA12
SCHEMBL1018066 0.78 MAPT (0.47) MAPTCA1CA2CA9CA12
SCHEMBL1020576 0.78 CA2 (0.61) MAPTCA1CA2CA9CA12
SCHEMBL506270 0.78 MAPT (0.55) MAPTCA1CA2CA9CA12
SCHEMBL29297466 0.77 MAPT (0.46) MAPTCA1CA2CA9CA12
SCHEMBL13423489 0.76 MAPT (0.53) MAPTCA1CA2CA9CA12

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
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed