SCHEMBL280312

SCHEMBL280312

Cc1ccc(-c2nc(C)c(CCON(O)O)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.47
TP53 P04637 7/20 0.47
LMNA P02545 3/20 0.47
THRB P10828 1/20 0.47
ALOX5 P09917 2/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
FFAR1 O14842 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL279195 0.89 MAPT (0.41) MAPTTP53LMNATHRBKDM4E
SCHEMBL10207171 0.89 MAPT (0.49) MAPTTP53LMNATHRBALOX5
SCHEMBL278857 0.89 LMNA (0.48) MAPTTP53LMNATHRBALOX5
SCHEMBL279899 0.88 PTGDR2 (0.44) MAPTTP53LMNATHRBKDM4E
SCHEMBL279881 0.88 CDC7 (0.47) MAPTTP53LMNATHRBPPARD
SCHEMBL279959 0.87 MAPT (0.53) MAPTTP53LMNAFFAR1PPARD
SCHEMBL279894 0.86 MAPT (0.40) MAPTTP53LMNATHRBPPARD
SCHEMBL279236 0.86 PPARD (0.55) MAPTGAAFFAR1PPARD
SCHEMBL279559 0.86 MAPT (0.56) MAPTTP53LMNATHRBKDM4E
SCHEMBL279546 0.85 MAPT (0.46) MAPTTP53LMNATHRB

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