SCHEMBL280485

SCHEMBL280485

Cc1nc(Nc2cc(Cl)cc(Cl)c2)sc1CCON(O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
CRHR1 P34998 7/20 0.38
APEX1 P27695 1/20 0.38
GAA P10253 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
CYP1A1 P04798 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1B1 Q16678 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
IMPDH2 P12268 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL12646824 0.88 PTGDR2 (0.45) DHODHALDH1A1KDM4EMAPTGAA
SCHEMBL280339 0.82 GAA (0.55) DHODHALDH1A1KDM4EMAPTGAA
SCHEMBL10206648 0.82 PIK3CG (0.42) DHODHALDH1A1MAPTCRHR1GAA
SCHEMBL280460 0.81 GAA (0.40) DHODHALDH1A1KDM4EMAPTGAA
SCHEMBL260391 0.79 DHODH (0.39) DHODHALDH1A1KDM4EMAPTCRHR1
SCHEMBL280302 0.79 ITGB3 (0.32) ALDH1A1CYP1A2
SCHEMBL280031 0.79 PTPN1 (0.40) MAPT
SCHEMBL279877 0.75 ALDH1A1 (0.34) ALDH1A1MAPTGAA
SCHEMBL280305 0.74 LMNA (0.37) DHODHALDH1A1KDM4EMAPTGAA
SCHEMBL12646852 0.74 ITGB3 (0.43) ALDH1A1CYP1A2

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