SCHEMBL280018

SCHEMBL280018

Cc1nc(-c2ccc(C(F)(F)F)nc2)sc1CCON(O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.41
PPARA Q07869 6/20 0.41
PPARG P37231 5/20 0.41
PTPN1 P18031 5/20 0.40
FFAR1 O14842 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL280042 0.85 MAPT (0.38) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL279236 0.84 PPARD (0.55) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL279538 0.82 MAPT (0.38) PPARDPPARAPPARGPTPN1MAPT
SCHEMBL264030 0.81 PPARD (0.41) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL3527473 0.81 PPARD (0.42) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL14210415 0.80 PPARD (0.39) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL280312 0.80 MAPT (0.47) PPARDFFAR1MAPTLMNATP53
SCHEMBL10207172 0.79 PPARD (0.52) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL279349 0.79 MAPT (0.36) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL279959 0.78 MAPT (0.53) PPARDPPARAPPARGPTPN1FFAR1

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