SCHEMBL280016

SCHEMBL280016

Cc1nc(-c2cnccn2)sc1CCON(O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.46
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
SRC P12931 2/20 0.38
ZAP70 P43403 2/20 0.38
SYK P43405 2/20 0.38
CYP1A2 P05177 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRAF P15056 1/20 0.33
TSHR P16473 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
SCHEMBL13763088 0.81 CYP1A2 (0.34) SRCZAP70SYKCYP1A2
SCHEMBL279469 0.81 HTT (0.30) HTTRECQLSRCZAP70SYK
SCHEMBL279486 0.81 SRC (0.32) SRCZAP70SYK
SCHEMBL279841 0.79 MAPT (0.50) HTTCDC7DBF4KDM4EALDH1A1
SCHEMBL10205795 0.79 SRC (0.33) SRCZAP70SYK
SCHEMBL259808 0.78 HTT (0.43) HRH3HTTRECQLCDC7DBF4
SCHEMBL279881 0.78 CDC7 (0.47) HRH3CDC7DBF4
SCHEMBL21013637 0.77 HTT (0.51) HRH3HTTRECQLCDC7DBF4
SCHEMBL280042 0.75 MAPT (0.38)
SCHEMBL280312 0.74 MAPT (0.47) KDM4E

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