SCHEMBL280031

SCHEMBL280031

Cc1nc(-c2cc(Cl)cc(Cl)c2)sc1CCON(O)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.40
LMNA P02545 7/20 0.39
MAPT P10636 11/20 0.38
TP53 P04637 4/20 0.38
THRB P10828 2/20 0.38

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
SCHEMBL10207171 0.87 MAPT (0.49) PTPN1LMNAMAPTTP53THRB
SCHEMBL280159 0.84 MAPT (0.36) PTPN1LMNAMAPTTP53THRB
SCHEMBL279879 0.84 LMNA (0.41) PTPN1LMNAMAPTTP53THRB
SCHEMBL280312 0.84 MAPT (0.47) LMNAMAPTTP53THRB
SCHEMBL280158 0.84 MAPT (0.41) PTPN1LMNAMAPTTP53THRB
SCHEMBL280465 0.83 MAPT (0.47) PTPN1LMNAMAPTTP53THRB
SCHEMBL13763088 0.83 CYP1A2 (0.34) PTPN1LMNAMAPTTP53THRB
SCHEMBL279124 0.83 LMNA (0.39) PTPN1LMNAMAPTTP53THRB
SCHEMBL278857 0.81 LMNA (0.48) LMNAMAPTTP53THRB
SCHEMBL280469 0.81 SCN3A (0.39) PTPN1LMNAMAPTTP53THRB

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