SCHEMBL11796361

SCHEMBL11796361

Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](OC(=O)c3ccccc3)[C@@H]2O)cc1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 1/20 0.45
▸ LGALS1 P09382 1/20 0.45
▸ LGALS3 P17931 1/20 0.45
▸ LGALS7; LGALS7B P47929 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MTOR P42345 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ GMNN O75496 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ DNMT1 P26358 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ HBB P68871 1/20 0.43

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
SCHEMBL11793768 0.90 LGALS9 (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL16556363 0.90 RNASE1 (0.41) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL11799171 0.89 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL11790069 0.89 ALDH1A1 (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL11800853 0.89 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL11793187 0.89 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL11802857 0.89 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL11799573 0.86 LMNA (0.47) ALDH1A1LMNAMTORHTTTHRB
SCHEMBL11796303 0.85 LGALS3 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL25887319 0.83 GAPDH (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1

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-3998807-A ARABINOFURANOSYL CYTOSINES AND METHODS OF MAKING SYNTEX (U.S.A.) INC. (US) 1976-12-21 — — US disclosed
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