SCHEMBL279959

SCHEMBL279959

Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1CCON(O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
PPARD Q03181 8/20 0.46
PPARA Q07869 7/20 0.46
PPARG P37231 6/20 0.46
PTPN1 P18031 4/20 0.41
FFAR1 O14842 2/20 0.40
LMNA P02545 1/20 0.40
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL279236 0.89 PPARD (0.55) MAPTPPARDPPARAPPARGFFAR1
SCHEMBL280312 0.87 MAPT (0.47) MAPTPPARDFFAR1LMNATP53
SCHEMBL10207171 0.85 MAPT (0.49) MAPTPTPN1LMNATP53
SCHEMBL279195 0.85 MAPT (0.41) MAPTPPARDPPARAPPARGPTPN1
SCHEMBL278857 0.84 LMNA (0.48) MAPTPPARDFFAR1LMNATP53
SCHEMBL279899 0.84 PTGDR2 (0.44) MAPTPPARDPPARAPPARGLMNA
SCHEMBL279881 0.83 CDC7 (0.47) MAPTPPARDPPARAPPARGPTPN1
SCHEMBL279894 0.81 MAPT (0.40) MAPTPPARDPPARAPPARGPTPN1
SCHEMBL279559 0.81 MAPT (0.56) MAPTPPARDPPARAPPARGFFAR1
SCHEMBL279546 0.81 MAPT (0.46) MAPTLMNATP53

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