SCHEMBL279872

SCHEMBL279872

CCN(CC)c1nc(C)c(CCON(O)O)s1

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
CYP1A2 P05177 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL10205606 0.86 APEX1 (0.32)
SCHEMBL280318 0.81 GAA (0.30) ITGB3ITGA2B
SCHEMBL13763088 0.79 CYP1A2 (0.34) CYP1A2HRH2HRH1HRH4
SCHEMBL279873 0.79 ALDH1A1 (0.39) CYP1A2HRH2HRH1HRH4
SCHEMBL279347 0.78 COMT (0.32) CYP1A2HRH2HRH1HRH4
SCHEMBL14209975 0.78 CYP1A2 (0.33) CYP1A2HRH2HRH1HRH4
SCHEMBL280046 0.76 HRH2 (0.56) CYP1A2HRH2HRH1HRH4
SCHEMBL13908546 0.76 CYP1A2 (0.33) CYP1A2HRH2HRH1HRH4
SCHEMBL279894 0.76 MAPT (0.40)
SCHEMBL280302 0.75 ITGB3 (0.32) ITGB3ITGA2BCYP1A2HRH2HRH1

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