SCHEMBL28656278

SCHEMBL28656278

NCCCC[C@H](N)C(=O)OP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 3/20 0.53
TSHR P16473 1/20 0.51
GLA P06280 1/20 0.51
ST6GAL1 P15907 7/20 0.49
P2RY6 Q15077 3/20 0.49
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
MTOR P42345 1/20 0.48
MDM2 Q00987 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
P2RY4 P51582 1/20 0.48

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
Lysine SCHEMBL28656282 0.88 P2RY2 (0.61) P2RY2ST6GAL1P2RY6P2RY4
SCHEMBL28272571 0.84 P2RY2 (0.68) P2RY2TSHRGLAST6GAL1P2RY6
SCHEMBL597403 0.83 P2RY2 (0.62) P2RY2TSHRGLAST6GAL1P2RY6
SCHEMBL8419911 0.81 P2RY2 (0.55) P2RY2TSHRGLAST6GAL1P2RY6
SCHEMBL7148623 0.81 P2RY2 (0.60) P2RY2TSHRGLAST6GAL1P2RY6
SCHEMBL4316734 0.81 P2RY2 (0.64) P2RY2TSHRGLAST6GAL1P2RY6
Cytarabine 5'-Phosphate SCHEMBL28968855 0.80 P2RY2 (0.69) P2RY2TSHRGLAST6GAL1P2RY6
SCHEMBL14125515 0.79 P2RY2 (0.62) P2RY2TSHRGLAST6GAL1P2RY6
SCHEMBL7168359 0.79 P2RY2 (0.54) P2RY2P2RY6P2RY4
SCHEMBL7168349 0.79 P2RY2 (0.54) P2RY2P2RY6P2RY4

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
CN-113423877-A Mutant tRNAs for codon expansion 中外制药株式会社 2021-09-21 CN disclosed