SCHEMBL280443

SCHEMBL280443

Cc1nc(C(C)c2ccccc2)sc1CCON(O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
HRH2 P25021 17/20 0.36
HRH4 Q9H3N8 14/20 0.36
HRH3 Q9Y5N1 14/20 0.36
HRH1 P35367 13/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
SLC6A3 Q01959 1/20 0.34
GAA P10253 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
SCHEMBL279332 0.86 ALOX5 (0.34)
SCHEMBL280317 0.83 AKR1C3 (0.41) KMT2ADRD3
SCHEMBL280316 0.82 HRH2 (0.39) HRH2HRH4HRH3HRH1
SCHEMBL280462 0.78
SCHEMBL278857 0.76 LMNA (0.48) GAA
SCHEMBL280457 0.74 HRH2 (0.36) KMT2AHRH2HRH4HRH3HRH1
SCHEMBL279977 0.72 L3MBTL1 (0.39) KMT2AGAA
SCHEMBL13763088 0.72 CYP1A2 (0.34) HRH2HRH4HRH1
SCHEMBL279873 0.72 ALDH1A1 (0.39) HRH2HRH4HRH1SLC6A3GAA
SCHEMBL264057 0.72 PTGS1 (0.48) KMT2AGAA

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 4 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-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