SCHEMBL279905

SCHEMBL279905

O=S(=O)(Nc1ccccn1)c1ccc(N=Nc2ccc(O)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.79
BRD3 Q15059 4/20 0.75
CREBBP Q92793 4/20 0.75
BRD7 Q9NPI1 2/20 0.75
MEN1 O00255 1/20 0.69
ABCC3 O15438 1/20 0.69
ABCC4 O15439 1/20 0.69
USP2 O75604 1/20 0.69
SLCO2B1 O94956 1/20 0.69
ALDH1A1 P00352 1/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
LMNA P02545 1/20 0.69
MMP1 P03956 1/20 0.69
ABCB1 P08183 1/20 0.69
MAPT P10636 1/20 0.69
CYP2C9 P11712 1/20 0.69
HPGD P15428 1/20 0.69
TSHR P16473 1/20 0.69
NFKB1 P19838 1/20 0.69

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
SCHEMBL11430146 0.87 BRD4 (0.76) BRD4BRD3CREBBPBRD7MEN1
SCHEMBL29420254 0.87 BRD4 (0.76) BRD4BRD3CREBBPBRD7MEN1
SCHEMBL11430139 0.87 BRD4 (0.76) BRD4BRD3CREBBPBRD7MEN1
SCHEMBL15496579 0.86 BRD4 (1.00) BRD4BRD3CREBBPBRD7BAZ2B
SCHEMBL15496569 0.86 BRD4 (1.00) BRD4BRD3CREBBPBRD7MEN1
SCHEMBL15496566 0.86 BRD4 (1.00) BRD4BRD3CREBBPBRD7MEN1
SCHEMBL30758847 0.85 BRD4 (0.80) BRD4BRD3CREBBPBRD7MEN1
SCHEMBL15496570 0.84 BRD4 (1.00) BRD4BRD3CREBBPBRD7MEN1
SCHEMBL10242038 0.84 BRD4 (1.00) BRD4BRD3CREBBPBRD7MEN1
SCHEMBL15496568 0.84 BRD4 (1.00) BRD4BRD3CREBBPBRD7MEN1

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 4 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-7881871-B2 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2011-02-01 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