Sugi Predict

Sugi Predict / Compounds / SCHEMBL12721291

SCHEMBL12721291

SCHEMBL12721291

O=C(O)c1cc(/N=N/c2ccc(Nc3nc(Nc4ccc(/N=N/c5cc(S(=O)(=O)O)c6cc(SOOO)cc(S(=O)(=O)O)c6c5)cc4)nc(N(CCO)CCO)n3)cc2)cc(C(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.35
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CFTR P13569 1/20 0.31

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
SCHEMBL12721285 0.86 ATIC (0.37) CA12CA1CA2CA9CFTR
SCHEMBL13963792 0.81 CA1 (0.46) CA12CA1CA2CA9
SCHEMBL12721300 0.80 ENPP2 (0.37) —
SCHEMBL12754566 0.79 CA1 (0.34) CA12CA1CA2CA9CFTR
SCHEMBL12754235 0.77 ATIC (0.36) CA12CA1CA2CA9CFTR
SCHEMBL10032958 0.77 FUT8 (0.42) —
SCHEMBL12721364 0.76 ENPP2 (0.37) —
SCHEMBL13151921 0.74 CA1 (0.40) PTPN11CA1CA2CA9
SCHEMBL12721327 0.74 RECQL (0.42) CA12CA1CA2CA9
SCHEMBL13963998 0.73 CA12 (0.37) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7927411-B2 Compound, ink, process and use FUJIFILM IMAGING COLORANTS LIMITED (GB) 2011-04-19 — — US disclosed
US-20100196675-A1 Compound, Ink, Process and Use FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-08-05 — — US disclosed
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