SCHEMBL280064

SCHEMBL280064

Cc1nc(-c2c(F)c(F)c(F)c(F)c2F)sc1CCON(O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.33
MAPT P10636 12/20 0.33
LMNA P02545 6/20 0.32
THRB P10828 1/20 0.31
FFAR1 O14842 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL13763088 0.88 CYP1A2 (0.34) TP53MAPTLMNATHRBFFAR1
SCHEMBL280498 0.85 MAPT (0.35) TP53MAPTLMNATHRB
SCHEMBL280310 0.83 MAPT (0.35) TP53MAPTLMNATHRBFFAR1
SCHEMBL279124 0.82 LMNA (0.39) TP53MAPTLMNATHRBPPARD
SCHEMBL279879 0.81 LMNA (0.41) TP53MAPTLMNATHRB
SCHEMBL279358 0.80 TP53 (0.34) TP53MAPTLMNATHRBFFAR1
SCHEMBL280290 0.80 MAPT (0.39) TP53MAPTLMNATHRB
SCHEMBL280047 0.80 FFAR1 (0.46) TP53MAPTLMNATHRBFFAR1
SCHEMBL280469 0.80 SCN3A (0.39) TP53MAPTLMNATHRB
SCHEMBL279517 0.79 LMNA (0.39) 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