SCHEMBL279648

SCHEMBL279648

Cc1nc(NNc2ccccc2)sc1CCON(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
GAA P10253 5/20 0.40
NPC1 O15118 12/20 0.39
RAB9A P51151 10/20 0.39
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.38
HRH2 P25021 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
EGFR P00533 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL280339 0.89 GAA (0.55) ALDH1A1GAANPC1RAB9AMAPT
SCHEMBL280302 0.80 ITGB3 (0.32) ALDH1A1HRH2HRH4ITGB3ITGA2B
SCHEMBL280460 0.78 GAA (0.40) ALDH1A1GAANPC1RAB9AMAPT
SCHEMBL279243 0.77 PTGDR2 (0.43) ALDH1A1GAANPC1RAB9AMAPT
SCHEMBL12646824 0.77 PTGDR2 (0.45) ALDH1A1GAANPC1RAB9AMAPT
SCHEMBL278857 0.76 LMNA (0.48) ALDH1A1GAAMAPTSMN1; SMN2LMNA
SCHEMBL280325 0.74 ITGB3 (0.32) ALDH1A1HPGDMEN1KMT2AITGB3
SCHEMBL14293704 0.72 ALDH1A1 (0.34) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL13763088 0.72 CYP1A2 (0.34) MAPTHRH2HRH4LMNATP53
SCHEMBL10206648 0.71 PIK3CG (0.42) ALDH1A1GAAMAPTMEN1KMT2A

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