SCHEMBL279604

SCHEMBL279604

Cc1nc(C2CCCCC2)sc1CCON(O)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
HRH2 P25021 5/20 0.33
HRH4 Q9H3N8 4/20 0.33
HRH1 P35367 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 1/20 0.31
HRH3 Q9Y5N1 3/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 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
SCHEMBL280344 0.93
SCHEMBL280267 0.85 BAZ2A (0.34)
SCHEMBL280241 0.80 MKNK1 (0.31)
SCHEMBL259447 0.76 ALDH1A1 (0.32) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL13343251 0.76 ALDH1A1 (0.36) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL280275 0.75 MAPT (0.33) ALDH1A1SMN1; SMN2
SCHEMBL279873 0.75 ALDH1A1 (0.39) ALDH1A1HRH2HRH4HRH1
SCHEMBL13763088 0.75 CYP1A2 (0.34) HRH2HRH4HRH1
SCHEMBL14209975 0.73 CYP1A2 (0.33) HRH2HRH4HRH1
SCHEMBL3528682 0.73 ALDH1A1 (0.36) ALDH1A1HPGDMEN1KMT2ANPC1

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