SCHEMBL280316

SCHEMBL280316

Cc1nc(C(C)c2cccs2)sc1CCON(O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 8/20 0.31
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 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
SCHEMBL259774 0.80 PTGS1 (0.39) HRH2HRH1HRH4HRH3MAPT
SCHEMBL279332 0.76 ALOX5 (0.34) ALOX5TSHRLMNA
SCHEMBL279138 0.76 KDM4E (0.49) HRH3KDM4EALDH1A1HPGDMAPT
SCHEMBL280151 0.75 GAA (0.38) HRH2HRH1HRH4HRH3KDM4E
SCHEMBL279681 0.75
SCHEMBL280462 0.75
SCHEMBL279867 0.74 ALDH1A1 (0.37) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL279413 0.73 ABCB11 (0.41) ALOX5TSHRMAPTLMNA
SCHEMBL280177 0.73 ABCB11 (0.41) ALOX5TSHRMAPTLMNA
SCHEMBL280317 0.72 AKR1C3 (0.41) HPGDTSHRMAPTLMNASMN1; SMN2

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