SCHEMBL280498

SCHEMBL280498

Cc1ccc(F)c(-c2nc(C)c(CCON(O)O)s2)c1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.35
LMNA P02545 4/20 0.34
TP53 P04637 8/20 0.33
THRB P10828 3/20 0.33
PTPN1 P18031 1/20 0.32

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
SCHEMBL280064 0.85 TP53 (0.33) MAPTLMNATP53THRB
SCHEMBL279358 0.84 TP53 (0.34) MAPTLMNATP53THRB
SCHEMBL280290 0.81 MAPT (0.39) MAPTLMNATP53THRBPTPN1
SCHEMBL14209967 0.81 MAPT (0.38) MAPTLMNATP53
SCHEMBL263513 0.79 MAPT (0.34) MAPTLMNATP53THRBPTPN1
SCHEMBL280047 0.79 FFAR1 (0.46) MAPTLMNATP53THRB
SCHEMBL13763088 0.79 CYP1A2 (0.34) MAPTLMNATP53THRBPTPN1
SCHEMBL279124 0.79 LMNA (0.39) MAPTLMNATP53THRBPTPN1
SCHEMBL280310 0.77 MAPT (0.35) MAPTLMNATP53THRBPTPN1
SCHEMBL280465 0.77 MAPT (0.47) MAPTLMNATP53THRBPTPN1

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