SCHEMBL19927403

SCHEMBL19927403

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](/N=C/c2ccccc2)[C@@H](CN=[N+]=[N-])O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 2/20 0.53
▸ ADORA1 P30542 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ P2RY12 Q9H244 2/20 0.42
▸ P2RX3 P56373 1/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ P2RX2 Q9UBL9 1/20 0.40
▸ NT5E P21589 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ DPP4 P27487 1/20 0.38

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
SCHEMBL19927404 1.00 AHCY (0.53) AHCYADORA1ALDH1A1HIF1AP2RY12
SCHEMBL19145869 0.88 ADORA3 (0.50) ADORA1ALDH1A1HIF1AP2RY12ADORA3
SCHEMBL19927246 0.85 PRMT6 (0.45) AHCYP2RY12
SCHEMBL19927242 0.85 PRMT6 (0.45) AHCYP2RY12
SCHEMBL13986331 0.85 AHCY (0.64) AHCYADORA1ALDH1A1HIF1AADORA3
SCHEMBL21565155 0.82 AHCY (0.53) AHCYADORA1ALDH1A1HIF1AP2RY12
SCHEMBL19927540 0.82 AHCY (0.53) AHCYADORA1ALDH1A1HIF1AP2RY12
SCHEMBL29832246 0.81 ADORA1 (0.49) ADORA1P2RY12NT5E
SCHEMBL19127764 0.81 ADORA1 (0.49) ADORA1P2RY12NT5E
SCHEMBL24465182 0.77 ALDH1A1 (0.56) AHCYADORA1ALDH1A1HIF1AP2RX3

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-2018045204-A1 CYCLIC DINUCLEOTIDE ANALOGS FOR TREATING CONDITIONS ASSOCIATED WITH STING (STIMULATOR OF INTERFERON GENES) ACTIVITY IFM THERAPEUTICS, INC (US) 2018-03-08 — — WO disclosed
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