SCHEMBL9538377

SCHEMBL9538377

Nc1nc2c(ncn2COC(CO)CCP(=O)([O-])[O-])c(=O)[nH]1.[H+].[H+]

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.75
MEN1 O00255 1/20 0.75
ALDH1A1 P00352 1/20 0.75
LMNA P02545 1/20 0.75
CYP3A4 P08684 1/20 0.75
NFKB1 P19838 1/20 0.75
VCP P55072 1/20 0.75
KMT2A Q03164 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
HIF1A Q16665 1/20 0.75
PDE3A Q14432 1/20 0.62
HPRT1 P00492 12/20 0.61
PNP P00491 6/20 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

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
SCHEMBL8990372 0.90 MEN1 (0.78) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL9537422 0.90 MEN1 (0.78) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL8990305 0.90 MEN1 (0.78) BLMMEN1ALDH1A1LMNACYP3A4
Phosphoric Acid SCHEMBL9538313 0.89 MEN1 (0.77) BLMMEN1ALDH1A1LMNACYP3A4
Ganciclovir SCHEMBL19031785 0.88 BLM (0.98) BLMMEN1ALDH1A1LMNACYP3A4
Ganciclovir SCHEMBL6047042 0.87 BLM (0.91) BLMMEN1ALDH1A1LMNACYP3A4
Ganciclovir SCHEMBL634653 0.87 BLM (0.91) BLMMEN1ALDH1A1LMNACYP3A4
Ganciclovir SCHEMBL1061493 0.87 BLM (0.91) BLMMEN1ALDH1A1LMNACYP3A4
Ganciclovir SCHEMBL2160505 0.86 BLM (1.00) BLMMEN1ALDH1A1LMNACYP3A4
Ganciclovir SCHEMBL3033 0.86 BLM (1.00) BLMMEN1ALDH1A1LMNACYP3A4

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
WO-1993006112-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-01 WO claimed
WO-1993006112-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-01 WO disclosed