SCHEMBL7639620

SCHEMBL7639620

O=C(CI)Nc1ccc(Nc2cccc3cc(S(=O)(=O)O)ccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.60
RHOA P61586 1/20 0.49
FGF1 P05230 1/20 0.46
SNCA P37840 2/20 0.44
NSD2 O96028 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
CASP7 P55210 1/20 0.42
PTPN11 Q06124 1/20 0.42
PRMT1 Q99873 1/20 0.41
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TTR P02766 1/20 0.40
FABP4 P15090 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK14 Q16539 1/20 0.40
NT5E P21589 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
SCHEMBL29407421 0.81 SNCA (0.62) CASP6SNCANSD2DUSP3PTPN5
SCHEMBL631327 0.81 SNCA (0.62) CASP6SNCANSD2DUSP3PTPN5
SCHEMBL31720743 0.81 SNCA (0.62) CASP6SNCANSD2DUSP3PTPN5
SCHEMBL7046526 0.81 CASP6 (0.62) CASP6RHOASNCANSD2DUSP3
SCHEMBL31614400 0.80 SNCA (0.63) CASP6RHOAFGF1SNCANSD2
SCHEMBL291102 0.80 SNCA (0.63) CASP6RHOAFGF1SNCANSD2
SCHEMBL7194445 0.80 SNCA (0.51) CASP6RHOASNCANSD2DUSP3
SCHEMBL9627398 0.78 CASP6 (0.58) CASP6RHOAFGF1SNCAPRMT1
SCHEMBL7194449 0.77 SNCA (0.51) CASP6RHOASNCANSD2DUSP3
SCHEMBL9627393 0.77 CASP6 (0.60) CASP6RHOAFGF1SNCAPRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395556-B1 DETECTING THE PRESENCE/CONCENTRATION OF AN ANALYTE; USING FLUORESCENT REFERENCE MOLECULES AND EXPOSE A SAMPLE TO THE REFERENCE MOLECULE; MEASURE INTENSITY CHANGES BY DETERMINING POLARIZATION AXES AFTER EXPOSURE TO A RADIATION SOURCE LAKOWICZ JOSEPH R (US) 2002-05-28 US disclosed