SCHEMBL8743547

SCHEMBL8743547

Nc1nc2c(ncn2C(OCCO)C(F)F)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.56
PNP P00491 2/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
EDNRA P25101 1/20 0.56
HTR2A P28223 1/20 0.56
RECQL P46063 1/20 0.56
HBB P68871 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
NFKB1 P19838 1/20 0.54
VCP P55072 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54
HPRT1 P00492 11/20 0.53
TK1 P04183 2/20 0.51

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
SCHEMBL29325413 0.83 BLM (0.59) BLMPNPUSP2TSHREDNRA
SCHEMBL5653744 0.83 BLM (0.59) BLMPNPUSP2TSHREDNRA
SCHEMBL8540040 0.83 BLM (0.58) BLMPNPUSP2TSHREDNRA
SCHEMBL19249139 0.83 PNP (0.50) BLMPNPUSP2TSHREDNRA
SCHEMBL8743548 0.83 PNP (0.55) BLMPNPUSP2TSHREDNRA
SCHEMBL8743536 0.82 PNP (0.51) BLMPNPUSP2TSHREDNRA
SCHEMBL9827056 0.79 BLM (0.53) BLMPNPUSP2TSHREDNRA
SCHEMBL25611139 0.79 PNP (0.53) BLMPNPUSP2TSHREDNRA
SCHEMBL29174355 0.78 HPRT1 (0.55) BLMPNPUSP2TSHREDNRA
SCHEMBL10819843 0.78 BLM (0.52) BLMPNPUSP2TSHREDNRA

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
EP-0335770-B1 Novel fluorophosphonate nucleotide derivatives MERRELL PHARMA INC (US) 1997-01-15 EP disclosed
EP-0339161-A1 Novel fluorophosphonate nucleotide derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-11-02 EP disclosed
EP-0335770-A2 Novel fluorophosphonate nucleotide derivatives MERRELL PHARMACEUTICALS INC. (US) 1989-10-04 EP disclosed