SCHEMBL9686454

SCHEMBL9686454

O=P(O)(O)C(F)(F)CC1CC([Se]c2ccccc2)C(n2cnc3c(Cl)ncnc32)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.37
DGAT1 O75907 1/20 0.36
TYMP P19971 1/20 0.36
AHCY P23526 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
P2RX7 Q99572 2/20 0.32
FBP1 P09467 1/20 0.31
DNPH1 O43598 1/20 0.31
P2RY1 P47900 1/20 0.31

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
SCHEMBL9685176 0.80 TYMP (0.40) TYMPAHCYP2RX7
SCHEMBL9685043 0.76 ADCY5 (0.47) FDPSDGAT1
SCHEMBL27364364 0.75 TYMP (0.38) TYMPAHCY
SCHEMBL9685174 0.72 TYMP (0.36) TYMPAHCY
SCHEMBL9686465 0.71 AHCY (0.39) FDPSDGAT1TYMPAHCYHDAC6
SCHEMBL9686007 0.64 ADCY5 (0.64)
SCHEMBL23586008 0.62 AHCY (0.39) TYMPAHCY
SCHEMBL10172069 0.61 AHCY (0.53) AHCY
SCHEMBL14037523 0.61 P2RX7 (0.42) TYMPAHCYHDAC6P2RX7
SCHEMBL5368535 0.60 AHCY (0.58) AHCY

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