SCHEMBL9583530

SCHEMBL9583530

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.75
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 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
SMN1; SMN2 Q16637 1/20 0.75
HIF1A Q16665 1/20 0.75
PDE3A Q14432 1/20 0.73
HBB P68871 2/20 0.59
PNP P00491 2/20 0.59
USP2 O75604 1/20 0.59
TSHR P16473 1/20 0.59
EDNRA P25101 1/20 0.59
HTR2A P28223 1/20 0.59
RECQL P46063 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HPRT1 P00492 10/20 0.54

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
SCHEMBL9583041 0.96 BLM (0.71) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL9584106 0.94 BLM (0.72) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL9583192 0.92 BLM (0.72) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL9583365 0.92 PDE3A (0.74) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL7619992 0.90 PDE3A (0.76) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL9583970 0.90 BLM (0.69) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL9583750 0.89 PDE3A (0.69) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL9584040 0.89 PDE3A (0.69) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL8446019 0.89 PDE3A (0.69) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL5555694 0.88 PDE3A (0.79) BLMMEN1KMT2AALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250535-A Herpes virus; nontoxic; side effect reduction; humans and veterinary medicine SYNTEX INC. (US) 1993-10-05 US disclosed
US-4803271-A Process for preparing guanine derivatives SYNTEX (U.S.A.) INC. (US) 1989-02-07 US disclosed
US-4612314-A Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl) purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1986-09-16 US disclosed
EP-0085424-A2 Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl)purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1983-08-10 EP disclosed