SCHEMBL280042

SCHEMBL280042

Cc1ccc(-c2nc(C)c(CCON(O)O)s2)cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.38
TP53 P04637 6/20 0.37
PTPN1 P18031 1/20 0.37
PPARD Q03181 6/20 0.36
PPARG P37231 4/20 0.36
PPARA Q07869 4/20 0.36
LMNA P02545 3/20 0.35
FFAR1 O14842 2/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL279538 0.87 MAPT (0.38) MAPTTP53PTPN1PPARDPPARG
SCHEMBL280018 0.85 PPARD (0.41) MAPTTP53PTPN1PPARDPPARG
SCHEMBL280312 0.84 MAPT (0.47) MAPTTP53PPARDLMNAFFAR1
SCHEMBL279841 0.84 MAPT (0.50) MAPTLMNA
SCHEMBL10207171 0.82 MAPT (0.49) MAPTTP53PTPN1LMNATHRB
SCHEMBL279195 0.82 MAPT (0.41) MAPTTP53PTPN1PPARDPPARG
SCHEMBL278857 0.82 LMNA (0.48) MAPTTP53PPARDLMNAFFAR1
SCHEMBL279559 0.81 MAPT (0.56) MAPTTP53PPARDPPARGPPARA
SCHEMBL279546 0.81 MAPT (0.46) MAPTTP53LMNATHRB
SCHEMBL279899 0.81 PTGDR2 (0.44) MAPTTP53PPARDPPARGPPARA

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