SCHEMBL20012367

SCHEMBL20012367

CCOP(COC(CF)Cn1cnc2c(=O)[nH]c(N)nc21)OCC

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 18/20 0.63
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
BLM P54132 1/20 0.52
VCP P55072 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL9194372 0.86 HPRT1 (0.65) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL20997370 0.86 HPRT1 (0.70) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL20012358 0.82 HPRT1 (0.45) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL3856997 0.82 HPRT1 (0.71) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL8624420 0.82 HPRT1 (0.71) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL20012382 0.82 HPRT1 (0.42) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL20012380 0.81 HPRT1 (0.71) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL19508636 0.79 HPRT1 (0.64) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9189420 0.79 HPRT1 (0.81) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL3856994 0.79 HPRT1 (0.81) HPRT1MEN1ALDH1A1LMNACYP3A4

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-2018055071-A1 PRODRUGS OF FLUORINATED ACYCLIC NUCLEOSIDE PHOSPHONATES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2018-03-29 WO disclosed