SCHEMBL21318994

SCHEMBL21318994

CNc1c(N)nc([S+]([O-])CC2CCCCC2)nc1N(C=O)Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NPC1 O15118 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
SCHEMBL19945786 0.74 RAB9A (0.37) RAB9ANPC1
SCHEMBL19945665 0.70 ABCB1 (0.38) RAB9ANPC1
SCHEMBL20343740 0.70 SLC26A6 (0.37) RAB9A
SCHEMBL20343735 0.67 RAB9A (0.32) RAB9A
SCHEMBL20343818 0.67 HPGD (0.39) RAB9A
SCHEMBL19945803 0.65 ALDH1A1 (0.33) —
SCHEMBL19945798 0.64 KCNQ3 (0.32) —
SCHEMBL21319007 0.63 RAB9A (0.31) TLR7RAB9A
SCHEMBL23019016 0.62 MAP4K4 (0.35) RAB9A
SCHEMBL21318940 0.62 ADORA3 (0.42) TLR7

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
EP-3294740-B1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-09-04 — — EP disclosed
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