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Sugi Predict / Compounds / SCHEMBL9239003

SCHEMBL9239003

SCHEMBL9239003

CCC(=O)Nc1nc(OC(=O)N(c2ccccc2)c2ccccc2)c2ncn([C@H]3C[C@H](O)[C@@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)O3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 14/20 0.49
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA1 P30542 1/20 0.33

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
SCHEMBL30274886 0.88 TYMP (0.56) TYMPADORA1
SCHEMBL30274730 0.88 TYMP (0.56) TYMPADORA1
SCHEMBL6894698 0.86 TYMP (0.45) TYMPADORA3ADORA1
SCHEMBL1064717 0.80 TYMP (0.59) TYMPADORA3ADORA1
SCHEMBL14665048 0.80 TYMP (0.59) TYMPADORA3ADORA1
SCHEMBL30002219 0.80 TYMP (0.56) TYMPADORA1
SCHEMBL10486838 0.80 TYMP (0.53) TYMPADORA3ADORA1
SCHEMBL30274935 0.80 TYMP (0.53) TYMPADORA3ADORA1
SCHEMBL30274714 0.79 TYMP (0.60) TYMP
SCHEMBL30274727 0.79 TYMP (0.60) TYMP

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
EP-0639584-A1 Preparation and screening of highly diverse peptide libraries for binding activity INTERPHARM LABORATORIES LTD. (IL) 1995-02-22 — — EP disclosed