SCHEMBL279559

SCHEMBL279559

CCOc1ccc(-c2nc(C)c(CCON(O)O)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
TP53 P04637 5/20 0.48
LMNA P02545 3/20 0.48
THRB P10828 1/20 0.48
PPARD Q03181 6/20 0.44
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
FFAR1 O14842 4/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL280312 0.86 MAPT (0.47) MAPTTP53LMNATHRBPPARD
SCHEMBL279195 0.84 MAPT (0.41) MAPTTP53LMNATHRBPPARD
SCHEMBL10207171 0.84 MAPT (0.49) MAPTTP53LMNATHRBKDM4E
SCHEMBL278857 0.83 LMNA (0.48) MAPTTP53LMNATHRBPPARD
SCHEMBL279894 0.83 MAPT (0.40) MAPTTP53LMNATHRBPPARD
SCHEMBL279899 0.82 PTGDR2 (0.44) MAPTTP53LMNATHRBPPARD
SCHEMBL279881 0.82 CDC7 (0.47) MAPTTP53LMNATHRBPPARD
SCHEMBL280042 0.81 MAPT (0.38) MAPTTP53LMNATHRBPPARD
SCHEMBL279959 0.81 MAPT (0.53) MAPTTP53LMNAPPARDPPARG
SCHEMBL279538 0.81 MAPT (0.38) MAPTTP53LMNATHRBPPARD

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