SCHEMBL280310

SCHEMBL280310

Cc1nc(-c2cc(F)c(F)c(F)c2F)sc1CCON(O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.35
TP53 P04637 5/20 0.34
BPGM P07738 1/20 0.33
LMNA P02545 7/20 0.33
FFAR1 O14842 1/20 0.32
PTPN1 P18031 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL278642 0.83 MAPT (0.37) MAPTTP53LMNAFFAR1PTPN1
SCHEMBL280064 0.83 TP53 (0.33) MAPTTP53LMNAFFAR1THRB
SCHEMBL279358 0.83 TP53 (0.34) MAPTTP53LMNAFFAR1THRB
SCHEMBL280047 0.82 FFAR1 (0.46) MAPTTP53LMNAFFAR1THRB
SCHEMBL279517 0.82 LMNA (0.39) MAPTTP53LMNATHRB
SCHEMBL280320 0.80 LMNA (0.39) MAPTTP53LMNAFFAR1PTPN1
SCHEMBL13763088 0.80 CYP1A2 (0.34) MAPTTP53LMNAFFAR1PTPN1
SCHEMBL264112 0.79 MAPT (0.34) MAPTTP53LMNAFFAR1
SCHEMBL279879 0.79 LMNA (0.41) MAPTTP53LMNAPTPN1THRB
SCHEMBL280323 0.78 LMNA (0.39) MAPTTP53LMNAPTPN1THRB

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