SCHEMBL279266

SCHEMBL279266

Cc1nc(-c2ccccc2OC(F)(F)F)sc1CCON(O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.37
PTPN1 P18031 3/20 0.36
TP53 P04637 1/20 0.36
FFAR1 O14842 1/20 0.36
HSD11B1 P28845 1/20 0.36
LMNA P02545 1/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ABL1 P00519 1/20 0.35
CYP2C9 P11712 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
RORC P51449 2/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL280301 0.85 TP53 (0.44) PTPN1TP53FFAR1HSD11B1LMNA
SCHEMBL280047 0.83 FFAR1 (0.46) TP53FFAR1LMNAPPARD
SCHEMBL280414 0.82 TSHR (0.43) TP53FFAR1LMNAPPARD
SCHEMBL279457 0.81 TRPM8 (0.44) TP53FFAR1LMNAPPARD
SCHEMBL10207178 0.81 MAPT (0.40) TP53FFAR1LMNAPPARGPPARD
SCHEMBL263990 0.81 FFAR1 (0.37) SCN9APTPN1TP53FFAR1HSD11B1
SCHEMBL279897 0.79 HTR2C (0.50) LMNA
SCHEMBL279885 0.79 MPL (0.42) PTPN1TP53FFAR1LMNAPPARG
SCHEMBL279488 0.78 TP53 (0.40) PTPN1TP53FFAR1LMNA
SCHEMBL12646943 0.78 TP53 (0.42) PTPN1TP53LMNAPPARGPPARD

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