SCHEMBL19035691

SCHEMBL19035691

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.52
▸ TLR7 Q9NYK1 3/20 0.50
▸ HINT1 P49773 1/20 0.50
▸ FUT5 Q11128 1/20 0.49
▸ STING1 Q86WV6 3/20 0.49
▸ PDE3B Q13370 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ NT5E P21589 1/20 0.48
▸ HPRT1 P00492 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL19242512 1.00 HPGD (0.52) HPGDTLR7HINT1FUT5STING1
SCHEMBL21562192 1.00 HPGD (0.52) HPGDTLR7HINT1FUT5STING1
SCHEMBL19882058 1.00 HPGD (0.52) HPGDTLR7HINT1FUT5STING1
SCHEMBL20059041 1.00 HPGD (0.52) HPGDTLR7HINT1FUT5STING1
SCHEMBL20056927 0.92 HINT1 (0.49) HPGDHINT1FUT5STING1PDE3B
SCHEMBL20057162 0.89 TAAR1 (0.49) HPGDHINT1FUT5STING1PDE3B
SCHEMBL4323450 0.88 ADORA3 (0.53) HPGDTLR7HINT1STING1PDE3B
SCHEMBL9200583 0.88 ADORA3 (0.53) HPGDTLR7HINT1STING1PDE3B
SCHEMBL98906 0.88 ADORA3 (0.53) HPGDTLR7HINT1STING1PDE3B
SCHEMBL98907 0.88 ADORA3 (0.53) HPGDTLR7HINT1STING1PDE3B

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-9688715-B2 Synthetic pGpG analogs, methods of preparation and methods of use Temple University—Of the Commonwealth System of Higher Education (US) 2017-06-27 — — US disclosed
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