SCHEMBL18744142

SCHEMBL18744142

CC1(O)C(O)[C@@H](COP(=O)(NCc2ccccc2)OCCSI)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
NT5E P21589 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
TGM2 P21980 1/20 0.42
POLB P06746 1/20 0.41
KRAS P01116 6/20 0.41
FUT6 P51993 1/20 0.41

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
SCHEMBL14143192 0.93 HINT1 (0.46) HINT1TAS1R3TAS1R1NT5EADORA3
SCHEMBL17232119 0.92 HINT1 (0.49) HINT1TAS1R3TAS1R1NT5EADORA3
SCHEMBL10819901 0.90 HINT1 (0.46) HINT1TAS1R3TAS1R1NT5EADORA3
SCHEMBL13522446 0.90 HINT1 (0.46) HINT1TAS1R3TAS1R1NT5EADORA3
SCHEMBL13523353 0.90 HINT1 (0.46) HINT1TAS1R3TAS1R1NT5EADORA3
SCHEMBL13522430 0.90 HINT1 (0.46) HINT1TAS1R3TAS1R1NT5EADORA3
SCHEMBL10819885 0.90 HINT1 (0.46) HINT1TAS1R3TAS1R1NT5EADORA3
SCHEMBL15468729 0.90 HINT1 (0.46) HINT1TAS1R3TAS1R1NT5EADORA3
SCHEMBL3132403 0.90 HINT1 (0.45) HINT1TAS1R3TAS1R1NT5EADORA3
SCHEMBL16350180 0.90 HINT1 (0.45) HINT1TAS1R3TAS1R1NT5EADORA3

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-9624249-B2 Nucleoside kinase bypass compositions and methods MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed