SCHEMBL5540095

SCHEMBL5540095

Cc1ccc(S(=O)(=O)O)cc1N(CCOc1ccc(C#N)cc1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.48
▸ PRSS1 P07477 1/20 0.43
▸ ACR P10323 1/20 0.43
▸ MMP3 P08254 2/20 0.43
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CACNA1H O95180 2/20 0.39
▸ CACNA1B Q00975 2/20 0.39
▸ CYP19A1 P11511 3/20 0.37
▸ HRH2 P25021 2/20 0.36
▸ HRH1 P35367 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL1619491 0.74 MAPT (0.47) MMP2PRSS1ACRMMP3MAPT
SCHEMBL4499300 0.70 MMP2 (0.50) MMP2PRSS1ACRMMP3MAPT
SCHEMBL1619492 0.66 ALDH1A1 (0.41) PRSS1ACRMAPTALDH1A1CA1
SCHEMBL4498438 0.66 MMP2 (0.63) MMP2MMP3MAPTALDH1A1CYP19A1
SCHEMBL13343452 0.64 ALDH1A1 (0.43) MAPTALDH1A1CA1CA2CA9
SCHEMBL1778964 0.64 KDM4E (0.46) ALDH1A1HRH1
SCHEMBL5971888 0.64 HRH3 (0.54) ALDH1A1
SCHEMBL21595642 0.64 MMP2 (0.67) MMP2MMP3MAPTALDH1A1CYP19A1
SCHEMBL3143891 0.63 HRH3 (0.53) ALDH1A1
SCHEMBL1894004 0.63 CA2 (0.55) ALDH1A1CYP19A1CA1CA2CA9

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-1765831-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 — — EP disclosed
WO-2005123747-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 — — WO disclosed
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