SCHEMBL280325

SCHEMBL280325

Cc1nc(NC=O)sc1CCON(O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL280302 0.84 ITGB3 (0.32) ITGB3ITGA2BALDH1A1
SCHEMBL279767 0.84 ITGB3 (0.32) ITGB3ITGA2BALDH1A1
SCHEMBL14293704 0.84 ALDH1A1 (0.34) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL280450 0.81 ALDH1A1 (0.48) ITGB3ITGA2BHPGDALDH1A1
SCHEMBL279877 0.80 ALDH1A1 (0.34) ITGB3ITGA2BALDH1A1
SCHEMBL14210095 0.78 RAB9A (0.42) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL12646852 0.77 ITGB3 (0.43) ITGB3ITGA2BHPGDALDH1A1
SCHEMBL261031 0.77
SCHEMBL279873 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL13763088 0.76 CYP1A2 (0.34)

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