SCHEMBL19146430

SCHEMBL19146430

CN(C)/C=N/c1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](NCc3ccccc3)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 1/20 0.41
▸ HPGD P15428 2/20 0.37
▸ NT5E P21589 1/20 0.37
▸ ADORA3 P0DMS8 2/20 0.36
▸ ACHE P22303 2/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ SLC29A1 Q99808 1/20 0.36
▸ IMPDH2 P12268 1/20 0.35
▸ NPEPPS P55786 3/20 0.35
▸ ANPEP P15144 2/20 0.35

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
SCHEMBL16822303 0.87 HINT1 (0.48) HINT1HPGDADORA3ADORA2AADORA2B
SCHEMBL19035636 0.87 HINT1 (0.48) HINT1HPGDADORA3ADORA2AADORA2B
SCHEMBL16822302 0.87 HINT1 (0.48) HINT1HPGDADORA3ADORA2AADORA2B
SCHEMBL16840864 0.87 HINT1 (0.48) HINT1HPGDADORA3ADORA2AADORA2B
SCHEMBL19127168 0.86 TYMP (0.47) HINT1HPGDNT5EACHEADORA1
SCHEMBL19146315 0.86 HINT1 (0.55) HINT1HPGDNT5EADORA3ADORA2A
SCHEMBL21253088 0.85 HPGD (0.49) HINT1HPGDADORA3ADORA2AADORA2B
SCHEMBL21253092 0.85 HPGD (0.49) HINT1HPGDADORA3ADORA2AADORA2B
SCHEMBL19145875 0.84 HPGD (0.39) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL7708529 0.80 HPGD (0.39) HINT1HPGDNT5EADORA2AADORA2B

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
WO-2017123669-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER GLICK GARY (US) 2017-07-20 — — WO disclosed
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