SCHEMBL280159

SCHEMBL280159

Cc1nc(-c2cc(O)c(O)c(O)c2)sc1CCON(O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.36
LMNA P02545 6/20 0.36
FFAR1 O14842 4/20 0.35
PPARD Q03181 4/20 0.35
TP53 P04637 6/20 0.34
ALOX5 P09917 1/20 0.34
THRB P10828 1/20 0.34
PTPN1 P18031 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
SCHEMBL279879 0.84 LMNA (0.41) MAPTLMNATP53THRBPTPN1
SCHEMBL280031 0.84 PTPN1 (0.40) MAPTLMNATP53THRBPTPN1
SCHEMBL280312 0.84 MAPT (0.47) MAPTLMNAFFAR1PPARDTP53
SCHEMBL13763088 0.83 CYP1A2 (0.34) MAPTLMNAFFAR1PPARDTP53
SCHEMBL278857 0.81 LMNA (0.48) MAPTLMNAFFAR1PPARDTP53
SCHEMBL279546 0.81 MAPT (0.46) MAPTLMNATP53THRB
SCHEMBL279881 0.80 CDC7 (0.47) MAPTLMNAPPARDTP53THRB
SCHEMBL279124 0.80 LMNA (0.39) MAPTLMNAPPARDTP53THRB
SCHEMBL10206606 0.80 MAPT (0.52) MAPTLMNAFFAR1PPARDTP53
SCHEMBL279195 0.79 MAPT (0.41) MAPTLMNAPPARDTP53THRB

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