SCHEMBL280238

SCHEMBL280238

CCc1nc(C)c(CCNCON(O)O)s1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
TP53 P04637 7/20 0.32
LMNA P02545 5/20 0.31
THRB P10828 2/20 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
SCHEMBL279347 0.81 COMT (0.32) GAA
SCHEMBL260330 0.76 ALDH1A1 (0.34) MAPTALDH1A1GAATP53THRB
SCHEMBL14209975 0.71 CYP1A2 (0.33)
SCHEMBL260055 0.70 CYP1A2 (0.37) ALDH1A1GAA
SCHEMBL13908546 0.70 CYP1A2 (0.33)
Bromide SCHEMBL5591179 0.69 CYP1A2 (0.36) ALDH1A1GAA
SCHEMBL13577896 0.67 CYP1A2 (0.35) MAPTALDH1A1GAATP53LMNA
SCHEMBL15796727 0.67 COMT (0.42) GAA
SCHEMBL1843654 0.66 COMT (0.39) GAA
SCHEMBL279767 0.66 ITGB3 (0.32) ALDH1A1GAA

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