SCHEMBL280302

SCHEMBL280302

Cc1nc(NO)sc1CCON(O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
CYP1A2 P05177 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL279767 0.90 ITGB3 (0.32) ITGB3ITGA2BCYP1A2HRH2HRH1
SCHEMBL279877 0.86 ALDH1A1 (0.34) ITGB3ITGA2BALDH1A1
SCHEMBL280325 0.84 ITGB3 (0.32) ITGB3ITGA2BALDH1A1
SCHEMBL280450 0.84 ALDH1A1 (0.48) ITGB3ITGA2BALDH1A1
SCHEMBL12646852 0.83 ITGB3 (0.43) ITGB3ITGA2BCYP1A2HRH2HRH1
SCHEMBL14293704 0.82 ALDH1A1 (0.34) ITGB3ITGA2BALDH1A1
SCHEMBL13763088 0.81 CYP1A2 (0.34) CYP1A2HRH2HRH1HRH4
SCHEMBL279873 0.81 ALDH1A1 (0.39) CYP1A2HRH2HRH1HRH4ALDH1A1
SCHEMBL280339 0.81 GAA (0.55) ALDH1A1
SCHEMBL14209975 0.80 CYP1A2 (0.33) CYP1A2HRH2HRH1HRH4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134010-B2 4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenylamine; N-{4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenyl}-acetamide; or4-Methyl-5-(2-nitrooxy-ethyl)-2-(4-nitro-phenyl)-thiazole; cardiovascular, gastrointestinal, inflammatory, respiratory disease RENOPHARM LTD. (IL) 2012-03-13 US disclosed
US-7968575-B2 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2011-06-28 US disclosed
US-7579477-B2 Thiazole-based nitric oxide donors having alkyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2009-08-25 US disclosed
US-7498445-B2 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2009-03-03 US disclosed
US-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 US disclosed
US-7332513-B2 Thiazole-based nitric oxide donors having acyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-02-19 US disclosed