SCHEMBL280484

SCHEMBL280484

COc1ccc(Cl)cc1-c1nc(C)c(CCON(O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
MAPT P10636 7/20 0.43
TP53 P04637 3/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PTPN1 P18031 4/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CTSA P10619 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL10205601 0.85 MAPT (0.46) LMNAMAPTTP53ALDH1A1KDM4E
SCHEMBL280320 0.83 LMNA (0.39) LMNAMAPTTP53KDM4EPTPN1
SCHEMBL260777 0.81 LMNA (0.43) LMNAMAPTTP53ALDH1A1KDM4E
SCHEMBL10207171 0.80 MAPT (0.49) LMNAMAPTTP53ALDH1A1KDM4E
SCHEMBL280031 0.77 PTPN1 (0.40) LMNAMAPTTP53PTPN1
SCHEMBL280323 0.76 LMNA (0.39) LMNAMAPTTP53PTPN1
SCHEMBL280036 0.76 CDC7 (0.39) LMNAMAPTTP53KDM4EPTPN1
SCHEMBL13763088 0.76 CYP1A2 (0.34) LMNAMAPTTP53PTPN1
SCHEMBL280307 0.76 P2RX7 (0.40) LMNAMAPTTP53ALDH1A1KDM4E
SCHEMBL278642 0.75 MAPT (0.37) LMNAMAPTTP53PTPN1

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