SCHEMBL4751273

SCHEMBL4751273

Cc1ccc(S(=O)(=O)n2c[c]nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
GAA P10253 5/20 0.45
PKM P14618 3/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
MMP2 P08253 1/20 0.42
ALDH3A1 P30838 2/20 0.42
NOD1 Q9Y239 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ELANE P08246 1/20 0.41
PRTN3 P24158 1/20 0.41
MAPT P10636 1/20 0.41
CXCL8 P10145 1/20 0.40
NOD2 Q9HC29 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL5491531 0.82 HTR6 (0.41) PKMALDH1A1POLBHTTMMP2
SCHEMBL14273105 0.76 CA1 (0.62) CA1CA2GAAPKMALDH1A1
SCHEMBL217862 0.70 TP53 (0.69) CA1CA2PKMALDH1A1HTT
SCHEMBL1892163 0.70 CA1 (0.59) CA1CA2GAAPKMALDH1A1
SCHEMBL1364805 0.70 CA1 (1.00) CA1CA2GAAPKMALDH1A1
Ammonia Solution, Strong SCHEMBL28097128 0.69 TP53 (0.67) CA1CA2PKMALDH1A1HTT
SCHEMBL6207072 0.69 CA1 (0.53) CA1CA2GAAPKMALDH1A1
SCHEMBL7257344 0.69 PKM (0.46) CA1CA2GAAPKMALDH1A1
SCHEMBL14431545 0.68 GAA (0.62) CA1CA2GAAPKMALDH1A1
SCHEMBL14973039 0.68 GAA (0.54) CA1CA2GAAPKMALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937673-A1 IMIDAZOLE DERIVATIVES AS INHIBITORS OF TAFIA Sanofi-Aventis (FR) 2008-07-02 EP disclosed
WO-2007045339-A1 IMIDAZOLE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (DE) 2007-04-26 WO disclosed
WO-2003013526-A1 ANTICOAGULANT COMPOUNDS MERCK & CO. INC. (US) 2003-02-20 WO disclosed
US-5607948-A PLATELET AGGREGATION INHIBITORS, BONE RESORPTION INHIBITORS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1997-03-04 US disclosed
EP-0706999-A1 NOVEL DIPIPERIDINE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-17 EP disclosed