Balsalazide

Balsalazide

SCHEMBL1461533

NCC(CC(=O)O)c1ccc(Cl)cc1.O=C([O-])CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+]

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ALOX5PPARGPTGS1PTGS2

The experimentally established mechanism targets of Balsalazide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 known ✓ P23219 1/20 0.33
▸ PTGS2 known ✓ P35354 1/20 0.33
▸ ADORA3 P0DMS8 2/20 0.52
▸ SIRT5 Q9NXA8 2/20 0.52
▸ NME4 O00746 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ ADORA2A P29274 1/20 0.52
▸ AVPR2 P30518 1/20 0.52
▸ AGTR1 P30556 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ AVPR1A P37288 1/20 0.52
▸ HTR3A P46098 1/20 0.52
▸ GCDH Q92947 1/20 0.52
▸ SLC29A1 Q99808 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ GABBR2 O75899 3/20 0.44
▸ GABBR1 Q9UBS5 3/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ LMNA P02545 2/20 0.44

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
Balsalazide SCHEMBL3667344 0.88 SIRT5 (0.68) ADORA3SIRT5NME4CHRM1ADORA2A
Balsalazide SCHEMBL29383212 0.82 SIRT5 (0.67) ADORA3SIRT5NME4CHRM1ADORA2A
Balsalazide SCHEMBL30360 0.82 SIRT5 (0.67) ADORA3SIRT5NME4CHRM1ADORA2A
Balsalazide SCHEMBL30361 0.81 SIRT5 (0.65) ADORA3SIRT5NME4CHRM1ADORA2A
Balsalazide SCHEMBL29352778 0.81 SIRT5 (0.65) ADORA3SIRT5NME4CHRM1ADORA2A
SCHEMBL11168262 0.73 TDP1 (0.61) ADORA3SIRT5NME4CHRM1ADORA2A
Balsalazide SCHEMBL3267109 0.70 SIRT5 (1.00) ADORA3SIRT5NME4CHRM1ADORA2A
Balsalazide SCHEMBL138311 0.70 SIRT5 (1.00) ADORA3SIRT5NME4CHRM1ADORA2A
Balsalazide SCHEMBL118300 0.70 SIRT5 (1.00) ADORA3SIRT5NME4CHRM1ADORA2A
Balsalazide SCHEMBL29377041 0.70 SIRT5 (1.00) ADORA3SIRT5NME4CHRM1ADORA2A

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
EP-2494075-A2 TEMPLATED NANOCONJUGATES Northwestern University (US) 2012-09-05 — — EP disclosed
EP-2473160-A1 DELIVERY OF THERAPEUTIC AGENTS USING OLIGONUCLEOTIDE-MODIFIED NANOPARTICLES AS CARRIERS Northwestern University (US) 2012-07-11 — — EP disclosed
WO-2011053940-A2 TEMPLATED NANOCONJUGATES NORTHWESTERN UNIVERSITY (US) 2011-05-05 — — WO disclosed
WO-2011028850-A1 DELIVERY OF THERAPEUTIC AGENTS USING OLIGONUCLEOTIDE-MODIFIED NANOPARTICLES AS CARRIERS NORTHWESTERN UNIVERSITY (US) 2011-03-10 — — WO disclosed
Send feedback