SCHEMBL280151

SCHEMBL280151

Cc1nc(C(C)c2ccc(C(=O)c3ccccc3)cc2)sc1CCON(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALOX5AP P20292 1/20 0.36
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 1/20 0.34
HRH2 P25021 9/20 0.34
HRH1 P35367 6/20 0.34
HRH4 Q9H3N8 6/20 0.34
HRH3 Q9Y5N1 6/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
LMNA P02545 2/20 0.33
ELANE P08246 1/20 0.33
PPARG P37231 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRM4 P08173 1/20 0.33
MEN1 O00255 1/20 0.33
PLA2G1B P04054 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL264057 0.84 PTGS1 (0.48) GAAALOX5APALDH1A1RAB9AMEN1
SCHEMBL280177 0.76 ABCB11 (0.41) LMNA
SCHEMBL10022962 0.66 ALDH1A1 (0.61) ALDH1A1RAB9ALMNAELANEKDM4E
SCHEMBL279977 0.66 L3MBTL1 (0.39) GAARAB9APPARGMEN1HTT
SCHEMBL279873 0.66 ALDH1A1 (0.39) GAAALDH1A1HRH2HRH1HRH4
SCHEMBL280047 0.65 FFAR1 (0.46) LMNA
SCHEMBL14209975 0.64 CYP1A2 (0.33) HRH2HRH1HRH4
SCHEMBL279611 0.64 KDM4E (0.44) ALDH1A1LMNAKDM4E
SCHEMBL13908546 0.63 CYP1A2 (0.33) HRH2HRH1HRH4
SCHEMBL11988241 0.63 ALDH1A1 (0.55) ALDH1A1RAB9ALMNAELANEKDM4E

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