SCHEMBL278143

SCHEMBL278143

Cc1nc(C(=O)Nc2cccnc2)sc1CCON(O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.46
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
BCAT2 O15382 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CISD2 Q8N5K1 1/20 0.42
HIF1A Q16665 1/20 0.41

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
SCHEMBL264079 0.84 L3MBTL1 (0.47) NAMPTNPC1RAB9AMAPTLMNA
SCHEMBL279370 0.79 TP53 (0.59) NPC1RAB9AMAPTLMNA
SCHEMBL279841 0.77 MAPT (0.50) NPC1RAB9AMAPTLMNA
SCHEMBL279627 0.71 LMNA (0.51) NPC1RAB9ALMNAHIF1A
SCHEMBL279508 0.70 MAPT (0.50) MAPTLMNA
SCHEMBL279881 0.69 CDC7 (0.47) MAPTLMNA
SCHEMBL280460 0.69 GAA (0.40) NPC1RAB9AMAPTLMNA
SCHEMBL279611 0.68 KDM4E (0.44) MAPTLMNA
SCHEMBL278857 0.67 LMNA (0.48) MAPTLMNA
SCHEMBL280450 0.67 ALDH1A1 (0.48)

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