SCHEMBL10206331

SCHEMBL10206331

CCOC(=O)c1nc(C)c(CCON(O)O)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
HPGD P15428 4/20 0.36
CYP1A2 P05177 3/20 0.35
MAPT P10636 3/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GAA P10253 4/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 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
SCHEMBL280483 0.84 GAA (0.33) ALDH1A1HPGDCYP1A2GAATSHR
SCHEMBL259133 0.78 PTGS2 (0.36) ALDH1A1HPGDCYP1A2MAPTGAA
SCHEMBL3823404 0.77 ALDH1A1 (0.45) ALDH1A1HPGDCYP1A2MAPTGAA
SCHEMBL3823328 0.76 ALDH1A1 (0.41) ALDH1A1HPGDCYP1A2MAPTGAA
SCHEMBL3821049 0.76 ALDH1A1 (0.44) ALDH1A1HPGDCYP1A2MAPTGAA
SCHEMBL279873 0.76 ALDH1A1 (0.39) ALDH1A1CYP1A2GAA
SCHEMBL13763088 0.76 CYP1A2 (0.34) CYP1A2MAPTPPARGLMNA
SCHEMBL279347 0.75 COMT (0.32) CYP1A2GAANPC1RAB9A
SCHEMBL14209975 0.74 CYP1A2 (0.33) CYP1A2
SCHEMBL280174 0.74 MAPT (0.42) ALDH1A1HPGDMAPTHSD17B10TSHR

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