SCHEMBL280290

SCHEMBL280290

Cc1nc(-c2c(F)cccc2Cl)sc1CCON(O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
LMNA P02545 4/20 0.39
TP53 P04637 8/20 0.37
PTPN1 P18031 3/20 0.36
THRB P10828 2/20 0.36
SCN3A Q9NY46 1/20 0.34
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
TYK2 P29597 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 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
SCHEMBL280469 0.92 SCN3A (0.39) MAPTLMNATP53PTPN1THRB
SCHEMBL280470 0.88 PTPN1 (0.36) MAPTLMNATP53PTPN1THRB
SCHEMBL280047 0.82 FFAR1 (0.46) MAPTLMNATP53THRB
SCHEMBL280498 0.81 MAPT (0.35) MAPTLMNATP53PTPN1THRB
SCHEMBL280307 0.81 P2RX7 (0.40) MAPTLMNATP53PTPN1ALDH1A1
SCHEMBL278642 0.81 MAPT (0.37) MAPTLMNATP53PTPN1THRB
SCHEMBL280064 0.80 TP53 (0.33) MAPTLMNATP53THRB
SCHEMBL263575 0.80 MAPT (0.38) MAPTLMNATP53PTPN1THRB
SCHEMBL280465 0.80 MAPT (0.47) MAPTLMNATP53PTPN1THRB
SCHEMBL280323 0.77 LMNA (0.39) MAPTLMNATP53PTPN1THRB

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