SCHEMBL10558237

SCHEMBL10558237

Nc1nc2c(ncn2COCC(COCc2ccccc2)OCc2ccccc2)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNP P00491 8/20 0.60
BLM P54132 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
CYP3A4 P08684 1/20 0.57
NFKB1 P19838 1/20 0.57
VCP P55072 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HIF1A Q16665 1/20 0.57
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
HPRT1 P00492 11/20 0.53

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
SCHEMBL10553712 1.00 PNP (0.60) PNPBLMMEN1KMT2AALDH1A1
SCHEMBL9651453 0.94 BLM (0.65) PNPBLMMEN1KMT2AALDH1A1
SCHEMBL6377806 0.89 BLM (0.72) PNPBLMMEN1KMT2AALDH1A1
SCHEMBL6835438 0.89 PNP (0.61) PNPBLMMEN1KMT2AALDH1A1
SCHEMBL6840470 0.89 BLM (0.72) PNPBLMMEN1KMT2AALDH1A1
SCHEMBL8981399 0.89 PNP (0.61) PNPBLMMEN1KMT2AALDH1A1
SCHEMBL6835357 0.89 BLM (0.72) PNPBLMMEN1KMT2AALDH1A1
SCHEMBL6839480 0.88 PNP (0.60) PNPBLMMEN1KMT2AALDH1A1
SCHEMBL8446591 0.88 PNP (0.60) PNPBLMMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6380553 0.88 BLM (0.71) PNPBLMMEN1KMT2AALDH1A1

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-4880820-A VIRICIDES, HERPES VIRUS MERCK & CO., INC. (US) 1989-11-14 US claimed
EP-0130126-A1 (S)-9-(2,3-dihydroxy-1-propoxymethyl) guanine and its acyl derivatives, their preparation and their application as antiherpetic agents MERCK & CO. INC. (US) 1985-01-02 EP claimed
US-4880820-A VIRICIDES, HERPES VIRUS MERCK & CO., INC. (US) 1989-11-14 US disclosed
EP-0130126-B1 (S)-9-(2,3-DIHYDROXY-1-PROPOXYMETHYL) GUANINE AND ITS ACYL DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTIHERPETIC AGENTS MERCK & CO. INC. (US) 1987-08-26 EP disclosed