SCHEMBL280470

SCHEMBL280470

Cc1cccc(Cl)c1-c1nc(C)c(CCON(O)O)s1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.36
SCN3A Q9NY46 1/20 0.35
TP53 P04637 5/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 6/20 0.33
LMNA P02545 7/20 0.33
THRB P10828 2/20 0.33

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
SCHEMBL280469 0.94 SCN3A (0.39) PTPN1SCN3ATP53MAPTLMNA
SCHEMBL280290 0.88 MAPT (0.39) PTPN1SCN3ATP53MAPTLMNA
SCHEMBL280307 0.83 P2RX7 (0.40) PTPN1TP53RXFP1MAPTLMNA
SCHEMBL279488 0.81 TP53 (0.40) PTPN1TP53RXFP1MAPTLMNA
SCHEMBL280031 0.80 PTPN1 (0.40) PTPN1TP53MAPTLMNATHRB
SCHEMBL263837 0.79 PTPN1 (0.35) PTPN1SCN3ATP53RXFP1MAPT
SCHEMBL13763088 0.79 CYP1A2 (0.34) PTPN1TP53MAPTLMNATHRB
SCHEMBL279124 0.79 LMNA (0.39) PTPN1TP53RXFP1MAPTLMNA
SCHEMBL10207171 0.78 MAPT (0.49) PTPN1TP53MAPTLMNATHRB
SCHEMBL278857 0.77 LMNA (0.48) TP53MAPTLMNATHRB

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