SCHEMBL4479899

SCHEMBL4479899

Cc1cc(S(=O)(=O)O)cc([N+](=O)[O-])c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.53
GAA P10253 1/20 0.53
PLCG1 P19174 1/20 0.53
DNMT1 P26358 1/20 0.53
CASP6 P55212 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GPR35 Q9HC97 1/20 0.43
VCAM1 P19320 9/20 0.43
MCOLN3 Q8TDD5 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL4479896 1.00 NSD2 (0.53) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL5369611 0.88 NSD2 (0.61) NSD2GAAPLCG1DNMT1CASP6
Hydrochloric Acid SCHEMBL7754103 0.86 NSD2 (0.59) NSD2GAAPLCG1DNMT1CASP6
Potassium Ion SCHEMBL10477278 0.86 NSD2 (0.59) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL10477276 0.86 NSD2 (0.59) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL30741200 0.83 NSD2 (0.56) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL9297794 0.83 NSD2 (0.56) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL7513754 0.80 NSD2 (0.61) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL28989085 0.80 GAA (0.53) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL2810591 0.80 NSD2 (0.53) NSD2GAAPLCG1DNMT1CASP6

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-6495247-B1 A COORDINATE BOND BEING A MULTIDENTATE BOND WHERE A MOLECULE BONDS WITH METALLIC ATOM ON SURFACE AND THE METALLIC ATOM IS BETWEEN THE LIGAND ATOMS MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2002-12-17 US claimed
EP-0896876-B1 FUNCTIONAL MEMBER HAVING MOLECULAR FILM ON THE SURFACE AND PROCESS FOR THE PRODUCTION THEREOF PANASONIC CORP (JP) 2009-01-21 EP disclosed
US-6495247-B1 A COORDINATE BOND BEING A MULTIDENTATE BOND WHERE A MOLECULE BONDS WITH METALLIC ATOM ON SURFACE AND THE METALLIC ATOM IS BETWEEN THE LIGAND ATOMS MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-0896876-A1 FUNCTIONAL MEMBER HAVING MOLECULAR FILM ON THE SURFACE AND PROCESS FOR THE PRODUCTION THEREOF MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1999-02-17 EP disclosed