SCHEMBL9686465

SCHEMBL9686465

O=P(O)(O)C(F)(F)CC1([SeH])CC(c2ccccc2)C(n2cnc3c(Cl)ncnc32)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.39
FDPS P14324 1/20 0.37
DGAT1 O75907 1/20 0.36
TYMP P19971 1/20 0.36
HDAC6 Q9UBN7 2/20 0.32
P2RY1 P47900 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
DNPH1 O43598 1/20 0.31
P2RY12 Q9H244 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX4 Q99571 1/20 0.30

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
SCHEMBL9686454 0.71 FDPS (0.37) AHCYFDPSDGAT1TYMPHDAC6
SCHEMBL9685043 0.66 ADCY5 (0.47) FDPSDGAT1ADORA3ADORA2AADORA1
SCHEMBL10172069 0.59 AHCY (0.53) AHCY
SCHEMBL14037523 0.59 P2RX7 (0.42) AHCYTYMPHDAC6
SCHEMBL20691350 0.58 TYMP (0.58) AHCYTYMP
SCHEMBL10171923 0.58 PDE2A (0.42) TYMP
SCHEMBL5368535 0.58 AHCY (0.58) AHCY
SCHEMBL5366317 0.58 AHCY (0.52) AHCYTYMP
SCHEMBL9786779 0.58 AHCY (0.71) AHCYPDE4APDE4BPDE4CPDE4D
SCHEMBL26382100 0.58 AHCY (0.71) AHCYPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468866-A1 Novel carbocyclic analogs of certain nucleosides MERRELL DOW PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed
EP-0468119-A1 Novel carbocyclic analogs of certain nucleosides MERRELL DOW PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed