SCHEMBL280465

SCHEMBL280465

Cc1nc(-c2ccc(F)c(Cl)c2)sc1CCON(O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
TP53 P04637 6/20 0.47
THRB P10828 2/20 0.44
LMNA P02545 5/20 0.43
PTPN1 P18031 6/20 0.42

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
SCHEMBL280158 0.90 MAPT (0.41) MAPTTP53THRBLMNAPTPN1
SCHEMBL10207171 0.86 MAPT (0.49) MAPTTP53THRBLMNAPTPN1
SCHEMBL280031 0.83 PTPN1 (0.40) MAPTTP53THRBLMNAPTPN1
SCHEMBL278642 0.83 MAPT (0.37) MAPTTP53THRBLMNAPTPN1
SCHEMBL10207172 0.82 PPARD (0.52) MAPTTP53LMNAPTPN1
SCHEMBL279546 0.82 MAPT (0.46) MAPTTP53THRBLMNA
SCHEMBL280320 0.82 LMNA (0.39) MAPTTP53THRBLMNAPTPN1
SCHEMBL279879 0.81 LMNA (0.41) MAPTTP53THRBLMNAPTPN1
SCHEMBL280312 0.80 MAPT (0.47) MAPTTP53THRBLMNA
SCHEMBL3371249 0.80 MAPT (0.48) MAPTTP53THRBLMNAPTPN1

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