SCHEMBL21783540

SCHEMBL21783540

OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(Cl)nc32)C(F)[C@H]1O

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.80
TP53 P04637 1/20 0.80
PDE2A O00408 3/20 0.80
ADORA1 P30542 3/20 0.80
ADORA3 P0DMS8 2/20 0.80
ADORA2A P29274 2/20 0.80
ADRA1A P35348 1/20 0.80
PDE4D Q08499 1/20 0.80
PDE3A Q14432 1/20 0.80
NT5E P21589 2/20 0.56
CD99 P14209 1/20 0.56
ADORA2B P29275 1/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL24195758 1.00 LMNA (0.80) LMNATP53PDE2AADORA1ADORA3
SCHEMBL22289307 1.00 LMNA (0.80) LMNATP53PDE2AADORA1ADORA3
SCHEMBL24233653 1.00 LMNA (0.80) LMNATP53PDE2AADORA1ADORA3
SCHEMBL26030665 0.89 LMNA (1.00) LMNATP53PDE2AADORA1ADORA3
SCHEMBL23982228 0.89 LMNA (1.00) LMNATP53PDE2AADORA1ADORA3
SCHEMBL639000 0.89 LMNA (1.00) LMNATP53PDE2AADORA1ADORA3
SCHEMBL29601320 0.89 LMNA (1.00) LMNATP53PDE2AADORA1ADORA3
SCHEMBL638999 0.89 LMNA (1.00) LMNATP53PDE2AADORA1ADORA3
SCHEMBL10607959 0.89 LMNA (1.00) LMNATP53PDE2AADORA1ADORA3
SCHEMBL24233634 0.89 ADORA3 (0.73) LMNATP53PDE2AADORA1ADORA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020184677-A1 ANTI-HEPATITIS B VIRUS AGENT ダイキン工業株式会社 2020-09-17 WO disclosed
WO-2020158951-A1 ANTI-HEPATITIS C VIRUS AGENT ダイキン工業株式会社 2020-08-06 WO disclosed
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