SCHEMBL279885

SCHEMBL279885

Cc1nc(-c2cccc(C(F)(F)F)c2F)sc1CCON(O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPL P40238 4/20 0.42
TP53 P04637 2/20 0.41
PTPN1 P18031 1/20 0.35
MAPT P10636 5/20 0.35
PPARD Q03181 7/20 0.35
PPARA Q07869 7/20 0.35
LMNA P02545 3/20 0.34
PPARG P37231 5/20 0.34
FFAR1 O14842 1/20 0.33

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 0.91 TP53 (0.44) TP53PTPN1MAPTPPARDPPARA
SCHEMBL12646943 0.83 TP53 (0.42) TP53PTPN1MAPTPPARDPPARA
SCHEMBL280047 0.83 FFAR1 (0.46) TP53MAPTPPARDLMNAFFAR1
SCHEMBL260832 0.81 MPL (0.41) MPLTP53PTPN1MAPTPPARD
SCHEMBL279358 0.81 TP53 (0.34) TP53MAPTPPARDPPARALMNA
SCHEMBL279488 0.79 TP53 (0.40) TP53PTPN1MAPTLMNAFFAR1
SCHEMBL279266 0.79 SCN9A (0.37) TP53PTPN1PPARDPPARALMNA
SCHEMBL279897 0.78 HTR2C (0.50) LMNA
SCHEMBL10207172 0.78 PPARD (0.52) TP53PTPN1MAPTPPARDPPARA
SCHEMBL279457 0.78 TRPM8 (0.44) TP53MAPTPPARDLMNAFFAR1

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