SCHEMBL18878460

SCHEMBL18878460

C[C@@H]1C=C(n2cnc3c(N)nccc32)[C@@H](O)[C@H]1O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AHCYL1 O43865 3/20 0.70
AHCY P23526 12/20 0.51
EZH2 Q15910 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
ADA P00813 1/20 0.36

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
SCHEMBL18878461 0.84 AHCYL1 (0.80) AHCYL1AHCYEZH2SMN1; SMN2ADA
SCHEMBL17532522 0.82 AHCYL1 (1.00) AHCYL1AHCYEZH2SMN1; SMN2ADA
SCHEMBL17532524 0.82 AHCYL1 (1.00) AHCYL1AHCYEZH2SMN1; SMN2ADA
SCHEMBL17532525 0.82 AHCYL1 (0.67) AHCYL1AHCYEZH2SMN1; SMN2
SCHEMBL863322 0.69 AHCY (0.69) AHCYL1AHCYEZH2SMN1; SMN2
SCHEMBL29308157 0.69 AHCY (0.80) AHCYL1AHCYEZH2SMN1; SMN2
SCHEMBL12322150 0.68 AHCY (0.70) AHCYL1AHCYEZH2SMN1; SMN2
3-Deazaneplanocin A SCHEMBL23683021 0.68 AHCY (1.00) AHCYL1AHCYEZH2SMN1; SMN2
3-Deazaneplanocin A SCHEMBL18256281 0.68 AHCY (1.00) AHCYL1AHCYEZH2SMN1; SMN2
3-Deazaneplanocin A SCHEMBL1521229 0.68 AHCY (1.00) AHCYL1AHCYEZH2SMN1; 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
US-9657048-B2 Enantiomers of the 1′,6′-isomer of neplanocin A AUBURN UNIVERSITY (US) 2017-05-23 US disclosed