SCHEMBL280339

SCHEMBL280339

Cc1nc(Nc2ccccc2)sc1CCON(O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.55
ALDH1A1 P00352 5/20 0.55
NPC1 O15118 9/20 0.49
MAPT P10636 9/20 0.49
RAB9A P51151 8/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
POLB P06746 1/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DHODH Q02127 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
SCHEMBL279648 0.89 ALDH1A1 (0.40) GAAALDH1A1NPC1MAPTRAB9A
SCHEMBL280460 0.89 GAA (0.40) GAAALDH1A1NPC1MAPTRAB9A
SCHEMBL12646824 0.88 PTGDR2 (0.45) GAAALDH1A1NPC1MAPTRAB9A
SCHEMBL279243 0.83 PTGDR2 (0.43) GAAALDH1A1NPC1MAPTRAB9A
SCHEMBL280485 0.82 DHODH (0.40) GAAALDH1A1MAPTPTGDR2KDM4E
SCHEMBL29044444 0.81 GAA (0.59) GAAALDH1A1NPC1MAPTRAB9A
SCHEMBL280302 0.81 ITGB3 (0.32) ALDH1A1
SCHEMBL279767 0.81 ITGB3 (0.32) GAAALDH1A1
SCHEMBL10206648 0.80 PIK3CG (0.42) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL29044461 0.78 GAA (0.59) GAAALDH1A1NPC1MAPTRAB9A

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