Sugi Predict

Sugi Predict / Compounds / SCHEMBL9290728

SCHEMBL9290728

SCHEMBL9290728

O=S(=O)([O-])c1ccccc1-c1c2nc(c(-c3ccccc3S(=O)(=O)[O-])c3ccc([nH]3)c(-c3ccccc3S(=O)(=O)[O-])c3nc(c(-c4ccccc4S(=O)(=O)[O-])c4ccc1[nH]4)C=C3)C=C2.O=S(=O)([O-])c1ccccc1-c1c2nc(c(-c3ccccc3S(=O)(=O)[O-])c3ccc([nH]3)c(-c3ccccc3S(=O)(=O)[O-])c3nc(c(-c4ccccc4S(=O)(=O)[O-])c4ccc1[nH]4)C=C3)C=C2.O=S(=O)([O-])c1ccccc1-c1c2nc(c(-c3ccccc3S(=O)(=O)[O-])c3ccc([nH]3)c(-c3ccccc3S(=O)(=O)[O-])c3nc(c(-c4ccccc4S(=O)(=O)[O-])c4ccc1[nH]4)C=C3)C=C2.[Fe+3].[Fe+3].[Fe+3].[Fe+3]

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.47
▸ TERT O14746 3/20 0.44
▸ TOP1 P11387 1/20 0.39
▸ CYCS P99999 2/20 0.38
▸ PTPN1 P18031 2/20 0.36
▸ PGAM1 P18669 2/20 0.36
▸ PKLR P30613 2/20 0.36

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
SCHEMBL5178493 0.97 ENPP2 (0.47) ENPP2TERTTOP1CYCSPTPN1
SCHEMBL1537557 0.97 ENPP2 (0.47) ENPP2TERTTOP1CYCSPTPN1
SCHEMBL8351335 0.91 ENPP2 (0.51) ENPP2TERTTOP1CYCS
SCHEMBL1613981 0.84 ENPP2 (0.55) ENPP2TERTTOP1CYCSPGAM1
SCHEMBL1537566 0.82 ENPP2 (0.57) ENPP2TERTTOP1CYCS
SCHEMBL1537544 0.82 ENPP2 (0.54) ENPP2TERTTOP1CYCSPGAM1
SCHEMBL30925048 0.82 ENPP2 (0.54) ENPP2TERTTOP1CYCSPGAM1
SCHEMBL9221176 0.80 STAT3 (0.51) ENPP2TERTPTPN1PGAM1PKLR
SCHEMBL8506340 0.78 ENPP2 (0.59) ENPP2TERTTOP1CYCS
SCHEMBL5918752 0.74 TERT (0.42) ENPP2TERTTOP1CYCS

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-5552245-A Modified electrolyte for electrochemical cells and cells using same MOTOROLA INC. (US) 1996-09-03 — — US claimed
US-5510046-A Modified electrolyte for electrochemical cells and cells using same MOTOROLA, INC. (US) 1996-04-23 — — US claimed
US-5552245-A Modified electrolyte for electrochemical cells and cells using same MOTOROLA INC. (US) 1996-09-03 — — US disclosed
US-5510046-A Modified electrolyte for electrochemical cells and cells using same MOTOROLA, INC. (US) 1996-04-23 — — US disclosed
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