SCHEMBL23897429

SCHEMBL23897429

Nc1nc(F)nc2c1ncn2C1CC(O)CO1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.62
LMNA P02545 2/20 0.52
NT5E P21589 2/20 0.52
HIF1A Q16665 1/20 0.52
ADORA3 P0DMS8 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
CA5A P35218 1/20 0.45
ADORA2B P29275 1/20 0.45
PNP P00491 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3A Q14432 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CHKA P35790 1/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3B Q9UBC3 1/20 0.41
STING1 Q86WV6 3/20 0.41

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
SCHEMBL23603471 0.83 AHCY (0.71) AHCYLMNANT5EHIF1AADORA3
SCHEMBL22992329 0.81 AHCY (0.60) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL5582394 0.81 AHCY (0.60) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL31309583 0.81 AHCY (0.60) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL5582393 0.81 AHCY (0.60) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL22762138 0.81 AHCY (0.60) AHCYADORA3ADORA2AADORA1ADORA2B
Magnesium SCHEMBL31309216 0.80 AHCY (0.59) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL31309711 0.80 AHCY (0.59) AHCYADORA3ADORA2AADORA1ADORA2B
Calcium SCHEMBL31309558 0.80 AHCY (0.59) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL31309571 0.80 AHCY (0.59) AHCYADORA3ADORA2AADORA1ADORA2B

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-2021202886-A1 METHODS FOR THE MONO-AMIDATION OF PHOSPHATES AND PHOSPHONATES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-10-07 WO disclosed