SCHEMBL280469

SCHEMBL280469

Cc1nc(-c2c(Cl)cccc2Cl)sc1CCON(O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.39
PTPN1 P18031 4/20 0.37
TRPM8 Q7Z2W7 1/20 0.35
LMNA P02545 5/20 0.34
MAPT P10636 5/20 0.34
TP53 P04637 4/20 0.34
TYK2 P29597 1/20 0.34
THRB P10828 1/20 0.34
FFAR2 O15552 1/20 0.32

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
SCHEMBL280470 0.94 PTPN1 (0.36) SCN3APTPN1LMNAMAPTTP53
SCHEMBL280290 0.92 MAPT (0.39) SCN3APTPN1LMNAMAPTTP53
SCHEMBL280307 0.86 P2RX7 (0.40) PTPN1LMNAMAPTTP53FFAR2
SCHEMBL13763088 0.82 CYP1A2 (0.34) PTPN1LMNAMAPTTP53THRB
SCHEMBL280031 0.81 PTPN1 (0.40) PTPN1LMNAMAPTTP53THRB
SCHEMBL10207171 0.81 MAPT (0.49) PTPN1LMNAMAPTTP53THRB
SCHEMBL278857 0.80 LMNA (0.48) LMNAMAPTTP53THRB
SCHEMBL280158 0.80 MAPT (0.41) PTPN1LMNAMAPTTP53THRB
SCHEMBL280064 0.80 TP53 (0.33) LMNAMAPTTP53THRB
SCHEMBL10205601 0.79 MAPT (0.46) 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