SCHEMBL9537422

SCHEMBL9537422

Nc1nc2c(ncn2COC(CO)CCP(=O)(O)O)c(=O)[nH]1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.78
ALDH1A1 P00352 1/20 0.78
LMNA P02545 1/20 0.78
CYP3A4 P08684 1/20 0.78
NFKB1 P19838 1/20 0.78
BLM P54132 1/20 0.78
VCP P55072 1/20 0.78
KMT2A Q03164 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
HIF1A Q16665 1/20 0.78
HPRT1 P00492 14/20 0.72
PNP P00491 6/20 0.64
PDE3A Q14432 1/20 0.62

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 1.00 MEN1 (0.78) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL8990305 1.00 MEN1 (0.78) MEN1ALDH1A1LMNACYP3A4NFKB1
Phosphoric Acid SCHEMBL9538313 0.99 MEN1 (0.77) MEN1ALDH1A1LMNACYP3A4NFKB1
Ganciclovir SCHEMBL1061493 0.91 BLM (0.91) MEN1ALDH1A1LMNACYP3A4NFKB1
Ganciclovir SCHEMBL6047042 0.91 BLM (0.91) MEN1ALDH1A1LMNACYP3A4NFKB1
Ganciclovir SCHEMBL634653 0.91 BLM (0.91) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9538377 0.90 BLM (0.75) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9538298 0.89 MEN1 (0.64) MEN1ALDH1A1LMNACYP3A4NFKB1
Ganciclovir SCHEMBL3033 0.88 BLM (1.00) MEN1ALDH1A1LMNACYP3A4NFKB1
Ganciclovir SCHEMBL2160505 0.88 BLM (1.00) MEN1ALDH1A1LMNACYP3A4NFKB1

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
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
US-5047533-A Viricides SRI INTERNATIONAL (US) 1991-09-10 US disclosed