SCHEMBL11790069

SCHEMBL11790069

Cc1cn([C@@H]2O[C@H](CO)[C@@H](OC(=O)c3ccccc3)[C@@H]2O)c(=O)nc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ LGALS9 O00182 2/20 0.45
▸ LGALS1 P09382 2/20 0.45
▸ LGALS3 P17931 2/20 0.45
▸ LGALS7; LGALS7B P47929 1/20 0.45
▸ RNASE1 P07998 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ MTOR P42345 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

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) ALDH1A1HTTLGALS9LGALS1LGALS3
SCHEMBL11799171 0.89 LGALS9 (0.45) ALDH1A1HTTLGALS9LGALS1LGALS3
SCHEMBL11802857 0.89 LGALS9 (0.45) ALDH1A1HTTLGALS9LGALS1LGALS3
SCHEMBL11800853 0.89 LGALS9 (0.45) ALDH1A1HTTLGALS9LGALS1LGALS3
SCHEMBL11793187 0.89 LGALS9 (0.45) ALDH1A1HTTLGALS9LGALS1LGALS3
SCHEMBL11796361 0.89 LGALS9 (0.45) ALDH1A1HTTLGALS9LGALS1LGALS3
SCHEMBL11802932 0.87 LMNA (0.47) ALDH1A1HTTLMNAMTORTHRB
SCHEMBL11796303 0.85 LGALS3 (0.42) ALDH1A1HTTLGALS9LGALS1LGALS3
SCHEMBL25407280 0.84 LMNA (0.47) ALDH1A1HTTLMNAMTORTHRB
SCHEMBL21999226 0.84 LMNA (0.47) ALDH1A1HTTLMNAMTORTHRB

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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