SCHEMBL280304

SCHEMBL280304

Cc1nc(-c2cccc(C(F)(F)F)c2)sc1CCON(O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PPARA Q07869 7/20 0.51
PPARG P37231 6/20 0.51
PPARD Q03181 5/20 0.51
MAPT P10636 7/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PTPN1 P18031 2/20 0.46
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 2/20 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
SCHEMBL279236 0.86 PPARD (0.55) ALDH1A1PPARAPPARGPPARDMAPT
SCHEMBL10206606 0.85 MAPT (0.52) PPARDMAPTLMNATP53
SCHEMBL3372790 0.83 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2PPARAPPARGPPARD
SCHEMBL278857 0.82 LMNA (0.48) ALDH1A1SMN1; SMN2PPARDMAPTLMNA
SCHEMBL10207172 0.81 PPARD (0.52) ALDH1A1PPARAPPARGPPARDMAPT
SCHEMBL1198943 0.81 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2PPARAPPARGPPARD
SCHEMBL4816726 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2PPARAPPARGPPARD
SCHEMBL279546 0.79 MAPT (0.46) MAPTLMNATP53
SCHEMBL1451665 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2PPARAPPARGPPARD
SCHEMBL2309205 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2PPARAPPARGPPARD

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