SCHEMBL20419330

SCHEMBL20419330

COc1cc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)C1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA8 P11142 5/20 0.58
▸ HSPA5 P11021 2/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ SLC28A2 O43868 4/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ GAPDH P04406 2/20 0.53
▸ DPP4 P27487 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ SLC28A1 O00337 1/20 0.53
▸ MAP3K7 O43318 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ADORA2A P29274 1/20 0.53
▸ ADORA2B P29275 1/20 0.53
▸ ADORA1 P30542 1/20 0.53
▸ STAT6 P42226 1/20 0.53
▸ PI4KA P42356 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PI4K2B Q8TCG2 1/20 0.53
▸ DOT1L Q8TEK3 1/20 0.53

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
SCHEMBL20419169 1.00 HSPA8 (0.58) HSPA8HSPA5RXFP1SLC28A2SMN1; SMN2
SCHEMBL20419183 0.90 HSPA5 (0.48) HSPA8HSPA5RXFP1SLC28A2SMN1; SMN2
SCHEMBL6380760 0.85 HSPA8 (0.61) HSPA8HSPA5RXFP1SLC28A2SMN1; SMN2
SCHEMBL1740449 0.85 HSPA5 (0.63) HSPA8HSPA5RXFP1SLC28A2SMN1; SMN2
SCHEMBL20419157 0.83 HSPA5 (0.61) HSPA8HSPA5RXFP1SLC28A2SMN1; SMN2
SCHEMBL20419188 0.80 HSPA8 (0.39) HSPA8HSPA5RXFP1SLC28A2SMN1; SMN2
SCHEMBL17918401 0.78 HSPA8 (0.55) HSPA8HSPA5RXFP1SLC28A2SMN1; SMN2
SCHEMBL18464362 0.78 ADK (0.57) HSPA8HSPA5RXFP1ADORA3
SCHEMBL1421820 0.78 HSPA8 (0.73) HSPA8HSPA5RXFP1SLC28A2SMN1; SMN2
SCHEMBL6840072 0.78 HSPA8 (0.73) HSPA8HSPA5RXFP1SLC28A2SMN1; SMN2

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-2018133854-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-07-26 — — WO disclosed
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