Sugi Predict

Sugi Predict / Compounds / SCHEMBL14353232

SCHEMBL14353232

SCHEMBL14353232

O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.64
▸ CA2 P00918 6/20 0.64
▸ TSHR P16473 1/20 0.62
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ GRK6 P43250 2/20 0.55
▸ ADK P55263 1/20 0.51
▸ LGALS3 P17931 1/20 0.47

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
SCHEMBL9399690 1.00 CA1 (0.64) CA1CA2TSHRNPC1RAB9A
SCHEMBL14478587 1.00 CA1 (0.64) CA1CA2TSHRNPC1RAB9A
SCHEMBL14353191 0.86 GRK6 (0.55) CA1CA2TSHRNPC1RAB9A
SCHEMBL14478532 0.86 GRK6 (0.55) CA1CA2TSHRNPC1RAB9A
SCHEMBL12859015 0.86 TSHR (0.61) CA1CA2TSHRNPC1RAB9A
SCHEMBL14478573 0.85 GRK6 (0.54) CA1CA2TSHRNPC1RAB9A
SCHEMBL13399023 0.85 GRK6 (0.54) CA1CA2TSHRNPC1RAB9A
SCHEMBL12858896 0.85 GRK6 (0.54) CA1CA2TSHRNPC1RAB9A
SCHEMBL14353366 0.85 GRK6 (0.54) CA1CA2TSHRNPC1RAB9A
SCHEMBL24834071 0.83 TSHR (0.53) CA1CA2TSHRGRK6LGALS3

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-20130004979-A1 GLYCOSYLTRANSFERASE REVERSIBILITY FOR SUGAR NUCLEOTIDE SYNTHESIS AND MICROSCALE SCANNING WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-03 — — US disclosed