SCHEMBL279469

SCHEMBL279469

COc1cncc(-c2nc(C)c(CCON(O)O)s2)n1

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
SRC P12931 1/20 0.30
ZAP70 P43403 1/20 0.30
SYK P43405 1/20 0.30
MAPT P10636 4/20 0.30
LMNA P02545 2/20 0.30
TP53 P04637 1/20 0.30
CYP11B2 P19099 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL279486 0.83 SRC (0.32) SRCZAP70SYK
SCHEMBL263495 0.79 TP53 (0.31) MAPTLMNATP53
SCHEMBL13763088 0.79 CYP1A2 (0.34) SRCZAP70SYKMAPTLMNA
SCHEMBL279881 0.74 CDC7 (0.47) MAPTLMNATP53
SCHEMBL279841 0.72 MAPT (0.50) HTTMAPTLMNA
SCHEMBL279961 0.72 CYP1A2 (0.32)
SCHEMBL278857 0.72 LMNA (0.48) MAPTLMNATP53
SCHEMBL280312 0.72 MAPT (0.47) MAPTLMNATP53
SCHEMBL280064 0.71 TP53 (0.33) MAPTLMNATP53
SCHEMBL279124 0.71 LMNA (0.39) SRCZAP70SYKMAPTLMNA

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