SCHEMBL16359865

SCHEMBL16359865

C[C@@]1(O)[C@H](O)[C@@H](CO[PH](=O)Oc2ccccc2)O[C@H]1c1scc2c(=O)[nH]c(N)nc12

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 1/20 0.40
▸ STING1 Q86WV6 1/20 0.32
▸ NOS1 P29475 1/20 0.31

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
SCHEMBL12261182 0.80 PNP (0.40) HINT1STING1
SCHEMBL12261233 0.80 HPRT1 (0.41) HINT1STING1
SCHEMBL12261202 0.77 CYP3A4 (0.44) HINT1
SCHEMBL12261197 0.76 P2RY2 (0.47) —
SCHEMBL12261240 0.75 CYP3A4 (0.38) HINT1
SCHEMBL12261188 0.73 CA12 (0.38) HINT1
SCHEMBL12261177 0.71 HINT1 (0.38) HINT1
SCHEMBL12261217 0.70 CYP3A4 (0.38) HINT1
SCHEMBL16359333 0.69 HINT1 (0.34) HINT1
SCHEMBL12261205 0.69 CYP3A4 (0.44) HINT1

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-2010093608-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-19 — — WO disclosed
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