SCHEMBL21783539

SCHEMBL21783539

Nc1nc(=O)n(C2OC(CO)C(O)C2F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.52
PDE2A O00408 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
ADRA1A P35348 1/20 0.51
PDE4D Q08499 1/20 0.51
PDE3A Q14432 1/20 0.51
LMNA P02545 4/20 0.50
MTOR P42345 2/20 0.50
ALDH1A1 P00352 2/20 0.50
THRB P10828 1/20 0.50
MDM2 Q00987 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
DNMT1 P26358 1/20 0.50
THPO P40225 1/20 0.50

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
SCHEMBL15948781 1.00 ALB (0.52) ALBPDE2AADORA3ADORA2AADORA1
SCHEMBL21783537 1.00 ALB (0.52) ALBPDE2AADORA3ADORA2AADORA1
SCHEMBL10893449 1.00 ALB (0.52) ALBPDE2AADORA3ADORA2AADORA1
SCHEMBL5144448 1.00 ALB (0.52) ALBPDE2AADORA3ADORA2AADORA1
SCHEMBL5144452 1.00 ALB (0.52) ALBPDE2AADORA3ADORA2AADORA1
SCHEMBL5144444 1.00 ALB (0.52) ALBPDE2AADORA3ADORA2AADORA1
SCHEMBL10024111 1.00 ALB (0.52) ALBPDE2AADORA3ADORA2AADORA1
SCHEMBL21423108 0.90 LMNA (0.62) ALBLMNAMTORALDH1A1THRB
SCHEMBL1230711 0.90 LMNA (0.62) ALBLMNAMTORALDH1A1THRB
SCHEMBL16805415 0.90 LMNA (0.62) ALBLMNAMTORALDH1A1THRB

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-2020045628-A1 NUCLEIC ACID ANALOG AND ANTI-HEPATITIS B VIRUS AGENT ダイキン工業株式会社 2020-03-05 WO disclosed