SCHEMBL280450

SCHEMBL280450

CC(=O)Nc1nc(C)c(CCON(O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
PIK3CG P48736 13/20 0.41
PIK3CA P42336 3/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CB P42338 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
LCK P06239 1/20 0.39
PI4KB Q9UBF8 2/20 0.38

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
SCHEMBL14210095 0.86 RAB9A (0.42) ALDH1A1ITGB3ITGA2B
SCHEMBL14293840 0.85 ITGB3 (0.50) ALDH1A1ITGB3ITGA2B
SCHEMBL280302 0.84 ITGB3 (0.32) ALDH1A1ITGB3ITGA2B
SCHEMBL279767 0.84 ITGB3 (0.32) ALDH1A1ITGB3ITGA2B
SCHEMBL12646852 0.82 ITGB3 (0.43) ALDH1A1HPGDITGB3ITGA2B
SCHEMBL280325 0.81 ITGB3 (0.32) ALDH1A1HPGDITGB3ITGA2B
SCHEMBL279956 0.80 ATAD2 (0.45) ALDH1A1HPGD
SCHEMBL279877 0.80 ALDH1A1 (0.34) ALDH1A1ITGB3ITGA2B
SCHEMBL8811568 0.79 PIK3CG (0.56) ALDH1A1HPGDPIK3CGPIK3CAPIK3CD
SCHEMBL14293704 0.78 ALDH1A1 (0.34) ALDH1A1ITGB3ITGA2B

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