SCHEMBL8168401

SCHEMBL8168401

CNc1ncnc2c1ncn2[C@@H]1C[C@](F)(CO)CO1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 4/20 0.53
▸ YTHDC1 Q96MU7 1/20 0.51
▸ ADORA3 P0DMS8 9/20 0.51
▸ ADORA1 P30542 4/20 0.46
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43

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
SCHEMBL8176535 1.00 AHCY (0.53) AHCYYTHDC1ADORA3ADORA1ADORA2A
SCHEMBL8168398 1.00 AHCY (0.53) AHCYYTHDC1ADORA3ADORA1ADORA2A
SCHEMBL8168403 1.00 AHCY (0.53) AHCYYTHDC1ADORA3ADORA1ADORA2A
SCHEMBL8180048 0.84 ADA (0.39) AHCYADORA3ADORA1ADORA2A
SCHEMBL8194232 0.84 ADA (0.39) AHCYADORA3ADORA1ADORA2A
SCHEMBL8180042 0.84 ADA (0.39) AHCYADORA3ADORA1ADORA2A
SCHEMBL8180046 0.84 ADA (0.39) AHCYADORA3ADORA1ADORA2A
SCHEMBL8194227 0.84 ADA (0.39) AHCYADORA3ADORA1ADORA2A
SCHEMBL8175283 0.83 ADA (0.38) AHCYADORA3ADORA2A
SCHEMBL8178785 0.83 ADA (0.38) AHCYADORA3ADORA2A

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-6072051-A VIRICIDE AGAINST HEPATITIS B VIRUS WITH LOW TOXICITY CHONG KUN DANG CORP. (KR) 2000-06-06 — — US claimed
Send feedback