SCHEMBL15060652

SCHEMBL15060652

CC[C@H]1OC(n2cnc3c(=O)[nH]c(N)nc32)[C@H](OC(C)=O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 6/20 0.61
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
NT5E P21589 1/20 0.54
GSK3A P49840 2/20 0.53
RPS6KA3 P51812 2/20 0.53
MAPK14 Q16539 2/20 0.53
PNP P00491 1/20 0.51
TGM2 P21980 1/20 0.51
HPGD P15428 1/20 0.50
ALDH1A1 P00352 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
KRAS P01116 2/20 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
SCHEMBL5011969 0.93 HINT1 (0.59) HINT1TAS1R3TAS1R1NT5EGSK3A
SCHEMBL11910704 0.92 HINT1 (0.58) HINT1TAS1R3TAS1R1NT5EGSK3A
SCHEMBL14559269 0.92 HINT1 (0.58) HINT1TAS1R3TAS1R1NT5EGSK3A
SCHEMBL18179095 0.92 HINT1 (0.58) HINT1TAS1R3TAS1R1NT5EGSK3A
SCHEMBL15061595 0.91 HINT1 (0.67) HINT1TAS1R3TAS1R1NT5EGSK3A
SCHEMBL16805371 0.90 HINT1 (0.56) HINT1TAS1R3TAS1R1NT5EGSK3A
SCHEMBL17211047 0.90 HINT1 (0.56) HINT1TAS1R3TAS1R1NT5EGSK3A
SCHEMBL31725233 0.88 TAS1R3 (0.74) HINT1TAS1R3TAS1R1NT5ETGM2
SCHEMBL26623839 0.87 HINT1 (0.56) HINT1TAS1R3TAS1R1NT5EGSK3A
SCHEMBL13597930 0.87 HPGD (0.58) HINT1TAS1R3TAS1R1NT5EGSK3A

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-8470801-B2 Myocardial perfusion imaging methods and compositions GILEAD SCIENCES, INC. (US) 2013-06-25 US disclosed