SCHEMBL280163

SCHEMBL280163

CC(=O)NCc1nc(C)c(CCON(O)O)s1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
ALOX15 P16050 1/20 0.32
OPRM1 P35372 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
VHL P40337 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL14209975 0.81 CYP1A2 (0.33) CYP1A2HRH2HRH1HRH4
SCHEMBL13908546 0.80 CYP1A2 (0.33) CYP1A2HRH2HRH1HRH4
SCHEMBL260706 0.80 ALDH1A1 (0.33) NPSR1ALDH1A1GAAALOX15
SCHEMBL279347 0.79 COMT (0.32) GAACYP1A2HRH2HRH1HRH4
SCHEMBL280450 0.78 ALDH1A1 (0.48) ALDH1A1
SCHEMBL280072 0.75 FBP1 (0.31)
SCHEMBL280345 0.74 HRH2 (0.30) GAAHRH2HRH1HRH4HRH3
SCHEMBL280243 0.74
SCHEMBL279873 0.74 ALDH1A1 (0.39) ALDH1A1GAACYP1A2HRH2HRH1
SCHEMBL13763088 0.74 CYP1A2 (0.34) CYP1A2MAPTHRH2HRH1HRH4

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