SCHEMBL8743536

SCHEMBL8743536

Nc1nc2c(ncn2C(OCCOCc2ccccc2)C(F)F)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 8/20 0.51
HPRT1 P00492 7/20 0.50
XDH P47989 1/20 0.46
BLM P54132 2/20 0.43
HBB P68871 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
EDNRA P25101 1/20 0.43
HTR2A P28223 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
VCP P55072 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 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
SCHEMBL8743558 0.86 PNP (0.50) PNPHPRT1XDHBLMHBB
SCHEMBL8743547 0.82 BLM (0.56) PNPHPRT1BLMHBBUSP2
SCHEMBL8743559 0.82 HDAC1 (0.36) HPRT1ALDH1A1CYP3A4HIF1A
SCHEMBL9747416 0.79 HPRT1 (0.45) PNPHPRT1XDHMEN1KMT2A
SCHEMBL10598150 0.78 HPRT1 (0.44) PNPHPRT1XDHBLMHBB
SCHEMBL7669042 0.75 HPRT1 (0.49) PNPHPRT1XDHBLMHBB
SCHEMBL9187381 0.75 PNP (0.56) PNPHPRT1XDHBLMHBB
SCHEMBL8743551 0.74 HPRT1 (0.39) PNPHPRT1XDHALDH1A1LMNA
SCHEMBL9740943 0.74 PNP (0.67) PNPHPRT1BLMHBBUSP2
SCHEMBL8990380 0.74 HPRT1 (0.57) PNPHPRT1

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