SCHEMBL19488387

SCHEMBL19488387

CCCCOC[C@H]1O[C@@H](n2cnc3c(SC)ncnc32)C(O)C1O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ ADORA3 P0DMS8 2/20 0.55
▸ EHMT1 Q9H9B1 1/20 0.55
▸ SLC29A1 Q99808 7/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.51
▸ AHCY P23526 2/20 0.50
▸ P2RX3 P56373 1/20 0.49
▸ P2RX2 Q9UBL9 1/20 0.49

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
SCHEMBL29936475 0.86 EHMT1 (0.74) SMN1; SMN2ADORA3EHMT1SLC29A1RXFP1
SCHEMBL8671033 0.86 EHMT1 (0.74) SMN1; SMN2ADORA3EHMT1SLC29A1RXFP1
SCHEMBL8671037 0.86 EHMT1 (0.74) SMN1; SMN2ADORA3EHMT1SLC29A1RXFP1
SCHEMBL26294910 0.84 SMN1; SMN2 (0.67) TP53SMN1; SMN2ADORA3EHMT1SLC29A1
SCHEMBL1637468 0.83 EHMT1 (0.76) SMN1; SMN2ADORA3EHMT1SLC29A1RXFP1
SCHEMBL9231760 0.83 EHMT1 (0.76) SMN1; SMN2ADORA3EHMT1SLC29A1RXFP1
SCHEMBL19488388 0.83 RXFP1 (0.52) TP53SMN1; SMN2ADORA3EHMT1SLC29A1
SCHEMBL21192264 0.83 SLC29A1 (0.62) TP53SMN1; SMN2ADORA3SLC29A1
SCHEMBL19488390 0.83 SLC29A1 (0.62) TP53SMN1; SMN2ADORA3SLC29A1
SCHEMBL1920531 0.82 EHMT1 (0.74) SMN1; SMN2ADORA3EHMT1SLC29A1RXFP1

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-2017180981-A1 NOVEL NUCLEOSIDE ANALOGS AND USE THEREOF IN THERAPEUTIC TREATMENT CORNELL UNIVERSITY (US) 2017-10-19 — — WO disclosed
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