SCHEMBL10388603

SCHEMBL10388603

O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.59
▸ DNMT3A Q9Y6K1 1/20 0.59
▸ SLC25A1 P53007 1/20 0.59
▸ VCAM1 P19320 9/20 0.56
▸ SLC10A2 Q12908 1/20 0.54
▸ SLC10A1 Q14973 1/20 0.54
▸ SLC10A6 Q3KNW5 1/20 0.54
▸ CCR2 P41597 2/20 0.52
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPBWR1 P48145 1/20 0.49
▸ MCHR1 Q99705 1/20 0.49
▸ THRB P10828 1/20 0.47
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MMP13 P45452 1/20 0.46

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
SCHEMBL3294854 0.82 VCAM1 (0.69) VCAM1NPBWR1MCHR1HPGD
SCHEMBL332971 0.82 VCAM1 (0.69) VCAM1NPBWR1MCHR1HPGD
SCHEMBL10389335 0.82 SLC25A1 (0.75) DNMT1DNMT3ASLC25A1VCAM1SLC10A2
SCHEMBL9585859 0.81 VCAM1 (0.67) VCAM1NPBWR1MCHR1HPGD
SCHEMBL176739 0.81 VCAM1 (0.67) VCAM1NPBWR1MCHR1HPGD
Hydrochloric Acid SCHEMBL6781152 0.81 VCAM1 (0.67) VCAM1NPBWR1MCHR1HPGD
SCHEMBL5452840 0.81 VCAM1 (0.67) VCAM1NPBWR1MCHR1HPGD
SCHEMBL10389254 0.78 DNMT1 (0.60) DNMT1DNMT3ASLC25A1VCAM1SLC10A2
SCHEMBL10388966 0.75 POLB (0.59) DNMT1DNMT3ASLC25A1VCAM1SLC10A2
SCHEMBL3201792 0.74 ALDH1A1 (0.58) DNMT1VCAM1LMNAHTTCA1

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-4918183-A Monoazo dyes, process for their preparation, and the use thereof CIBA-GEIGY CORPORATION (US) 1990-04-17 — — US disclosed
Send feedback