SCHEMBL15468709

SCHEMBL15468709

C[C@@]1(O)C(O)[C@@H](COP(=O)(O)NCc2ccccc2)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 1/20 0.53
TGM2 P21980 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
NT5E P21589 1/20 0.49
POLB P06746 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
FUT6 P51993 2/20 0.45
KRAS P01116 4/20 0.45
FUT5 Q11128 1/20 0.44

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
SCHEMBL13522448 1.00 HINT1 (0.53) HINT1TGM2TAS1R3TAS1R1NT5E
SCHEMBL13522424 1.00 HINT1 (0.53) HINT1TGM2TAS1R3TAS1R1NT5E
SCHEMBL18744143 1.00 HINT1 (0.53) HINT1TGM2TAS1R3TAS1R1NT5E
SCHEMBL15468734 1.00 HINT1 (0.53) HINT1TGM2TAS1R3TAS1R1NT5E
SCHEMBL15788429 1.00 HINT1 (0.53) HINT1TGM2TAS1R3TAS1R1NT5E
SCHEMBL17232119 0.89 HINT1 (0.49) HINT1TGM2TAS1R3TAS1R1NT5E
SCHEMBL18744142 0.88 HINT1 (0.48) HINT1TGM2TAS1R3TAS1R1NT5E
SCHEMBL14143192 0.86 HINT1 (0.46) HINT1TGM2TAS1R3TAS1R1NT5E
SCHEMBL14769878 0.86 HINT1 (0.49) HINT1TGM2TAS1R3TAS1R1NT5E
SCHEMBL15468735 0.86 NT5E (0.57) HINT1TGM2TAS1R3TAS1R1NT5E

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-2307434-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS INC (US) 2014-02-12 EP disclosed