SCHEMBL8760993

SCHEMBL8760993

C=C(CO/C=[P+](\[O-])OC(C(=O)C(C)(C)C)C(=O)C(C)(C)C)Cn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HBB P68871 2/20 0.43
BLM P54132 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
VCP P55072 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
PNP P00491 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
EDNRA P25101 1/20 0.42
HTR2A P28223 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TK1 P04183 2/20 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
SCHEMBL8760981 0.80 MEN1 (0.49) MEN1KMT2AHBBBLMMAPK1
SCHEMBL6833582 0.80 MEN1 (0.47) MEN1KMT2AHBBBLMMAPK1
SCHEMBL6266779 0.72 TK1 (0.58) MEN1KMT2AHBBBLMALDH1A1
SCHEMBL3857910 0.72 HPRT1 (0.53) MEN1KMT2AHBBBLMALDH1A1
SCHEMBL7627167 0.72 PNP (0.58) MEN1KMT2AHBBBLMMAPK1
SCHEMBL3857914 0.72 HPRT1 (0.53) PNPHPRT1
SCHEMBL6834577 0.70 PNP (0.56) MEN1KMT2AHBBBLMMAPK1
SCHEMBL6271393 0.70 TK1 (0.58) MEN1KMT2AHBBBLMMAPK1
SCHEMBL6265535 0.70 TK1 (0.61) MEN1KMT2AHBBBLMALDH1A1
SCHEMBL8760975 0.70 PNP (0.45) MEN1KMT2AHBBBLMMAPK1

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-0701562-B1 UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES MERRELL PHARMA INC (US) 1997-06-18 EP claimed
EP-0701562-B1 UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES MERRELL PHARMA INC (US) 1997-06-18 EP disclosed