SCHEMBL19997429

SCHEMBL19997429

C[C@@]1(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@]1(O)c1cnc2c(N)nc(N)nn12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 2/20 0.35
▸ PDE2A O00408 2/20 0.34
▸ BCHE P06276 1/20 0.30

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
SCHEMBL12243232 1.00 HSPA5 (0.35) HSPA5PDE2ABCHE
SCHEMBL2374198 1.00 HSPA5 (0.35) HSPA5PDE2ABCHE
SCHEMBL12243146 0.91 HSPA5 (0.34) HSPA5PDE2A
SCHEMBL12393241 0.91 HSPA5 (0.34) HSPA5PDE2A
SCHEMBL12243231 0.90 HSPA5 (0.33) HSPA5PDE2ABCHE
SCHEMBL12243236 0.88 PDE2A (0.33) HSPA5PDE2A
SCHEMBL19997431 0.88 PDE2A (0.33) HSPA5PDE2A
SCHEMBL12393235 0.88 HSPA5 (0.37) HSPA5PDE2A
SCHEMBL10142663 0.87 HSPA5 (0.34) HSPA5PDE2ABCHE
SCHEMBL12393305 0.84 KDM4E (0.32) —

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-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 — — US disclosed
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