SCHEMBL279538

SCHEMBL279538

CCc1ccc(-c2nc(C)c(CCON(O)O)s2)cn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.38
TP53 P04637 9/20 0.36
LMNA P02545 6/20 0.35
PTPN1 P18031 2/20 0.35
THRB P10828 2/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL280042 0.87 MAPT (0.38) MAPTTP53LMNAPTPN1THRB
SCHEMBL280018 0.82 PPARD (0.41) MAPTTP53LMNAPTPN1PPARG
SCHEMBL280312 0.81 MAPT (0.47) MAPTTP53LMNATHRBPPARD
SCHEMBL279559 0.81 MAPT (0.56) MAPTTP53LMNATHRBPPARG
SCHEMBL260324 0.80 MAPT (0.37) MAPTTP53LMNAPTPN1THRB
SCHEMBL279195 0.79 MAPT (0.41) MAPTTP53LMNAPTPN1THRB
SCHEMBL10207171 0.79 MAPT (0.49) MAPTTP53LMNAPTPN1THRB
SCHEMBL278857 0.79 LMNA (0.48) MAPTTP53LMNATHRBPPARD
SCHEMBL279841 0.79 MAPT (0.50) MAPTLMNA
SCHEMBL279894 0.79 MAPT (0.40) MAPTTP53LMNAPTPN1THRB

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