SCHEMBL280301

SCHEMBL280301

Cc1nc(-c2ccccc2C(F)(F)F)sc1CCON(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
PPARD Q03181 5/20 0.41
PPARA Q07869 5/20 0.41
HSD11B1 P28845 1/20 0.36
PPARG P37231 4/20 0.36
PTPN1 P18031 3/20 0.36
FFAR1 O14842 1/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.34
F2RL3 Q96RI0 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL279885 0.91 MPL (0.42) TP53PPARDPPARAPPARGPTPN1
SCHEMBL280047 0.86 FFAR1 (0.46) TP53PPARDFFAR1MAPTLMNA
SCHEMBL279266 0.85 SCN9A (0.37) TP53PPARDPPARAHSD11B1PPARG
SCHEMBL12646943 0.85 TP53 (0.42) TP53PPARDPPARAPPARGPTPN1
SCHEMBL279457 0.84 TRPM8 (0.44) TP53PPARDFFAR1MAPTLMNA
SCHEMBL10207178 0.84 MAPT (0.40) TP53PPARDPPARGFFAR1MAPT
SCHEMBL279897 0.82 HTR2C (0.50) LMNAALOX15HSD17B10ALDH1A1
SCHEMBL279488 0.81 TP53 (0.40) TP53PTPN1FFAR1MAPTLMNA
SCHEMBL278857 0.80 LMNA (0.48) TP53PPARDFFAR1MAPTLMNA
SCHEMBL10207172 0.80 PPARD (0.52) TP53PPARDPPARAPPARGPTPN1

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