SCHEMBL18878458

SCHEMBL18878458

CC[C@@H]1C=C(n2cnc3c(N)ncc(Br)c32)[C@@H](O)[C@H]1O

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AHCYL1 O43865 4/20 0.81
AHCY P23526 16/20 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
SCHEMBL17532526 0.89 AHCYL1 (1.00) AHCYL1AHCY
SCHEMBL17532523 0.89 AHCYL1 (1.00) AHCYL1AHCY
SCHEMBL18878461 0.76 AHCYL1 (0.80) AHCYL1AHCY
SCHEMBL17528508 0.66 AHCYL1 (0.65) AHCYL1AHCY
SCHEMBL17501744 0.66 AHCYL1 (0.65) AHCYL1AHCY
SCHEMBL17501761 0.66 AHCYL1 (0.65) AHCYL1AHCY
SCHEMBL17532522 0.65 AHCYL1 (1.00) AHCYL1AHCY
SCHEMBL17532524 0.65 AHCYL1 (1.00) AHCYL1AHCY
SCHEMBL29780629 0.62 ADORA2A (0.63) AHCYL1
SCHEMBL18878459 0.61 AHCYL1 (0.72) AHCYL1AHCY

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