SCHEMBL279138

SCHEMBL279138

Cc1nc(-c2cccs2)sc1CCON(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.49
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.47
RAB9A P51151 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 7/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
FBP1 P09467 1/20 0.38
NPC1 O15118 1/20 0.38
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 2/20 0.35
AHR P35869 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNH2 Q12809 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
SCHEMBL279867 0.82 ALDH1A1 (0.37) KDM4EALDH1A1GAAL3MBTL1MAPT
SCHEMBL13763088 0.82 CYP1A2 (0.34) MAPTTP53LMNATHRBPPARG
SCHEMBL27567650 0.81 KDM4E (0.55) KDM4EALDH1A1GAARAB9AL3MBTL1
SCHEMBL278857 0.80 LMNA (0.48) ALDH1A1GAAMAPTTP53LMNA
SCHEMBL280311 0.80 CYP2A6 (0.37) MAPTTP53LMNATHRB
SCHEMBL279881 0.79 CDC7 (0.47) MAPTTP53LMNATHRBPPARG
SCHEMBL3436682 0.78 KDM4E (0.58) KDM4EALDH1A1GAARAB9AL3MBTL1
SCHEMBL260396 0.78 KDM4E (0.47) KDM4EALDH1A1GAARAB9AL3MBTL1
SCHEMBL280312 0.77 MAPT (0.47) KDM4EGAARAB9AMAPTTP53
SCHEMBL279457 0.77 TRPM8 (0.44) ALDH1A1MAPTTP53LMNATHRB

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