SCHEMBL279977

SCHEMBL279977

Cc1nc(OCc2ccccc2)sc1CCON(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
PTPN1 P18031 1/20 0.37
GRM5 P41594 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
FFAR1 O14842 2/20 0.35
PPARD Q03181 1/20 0.35
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATP4A P20648 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
SCHEMBL278857 0.79 LMNA (0.48) SMN1; SMN2FFAR1PPARDMAPTALOX5
SCHEMBL263982 0.78 LMNA (0.39) L3MBTL1PTPN1GRM5SMN1; SMN2STAT3
SCHEMBL280339 0.73 GAA (0.55) SMN1; SMN2HTTRAB9AMEN1KMT2A
SCHEMBL280443 0.72 KMT2A (0.37) KMT2AGAA
SCHEMBL279873 0.72 ALDH1A1 (0.39) PDE10AGAA
SCHEMBL280312 0.71 MAPT (0.47) FFAR1PPARDRAB9AMAPTALOX5
SCHEMBL279457 0.71 TRPM8 (0.44) SMN1; SMN2HTTFFAR1PPARDMAPT
SCHEMBL280047 0.71 FFAR1 (0.46) FFAR1PPARDMAPT
SCHEMBL14209975 0.70 CYP1A2 (0.33)
SCHEMBL279881 0.70 CDC7 (0.47) PTPN1PPARGPPARAPPARDMAPT

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