SCHEMBL4908015

SCHEMBL4908015

Nc1nc2nc(COC(CO)CO)[nH]c2c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNP P00491 6/20 0.51
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
BLM P54132 1/20 0.43
VCP P55072 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40

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
SCHEMBL37957 0.79 PNP (0.53) PNPMEN1ALDH1A1KMT2ABLM
SCHEMBL7617798 0.79 PNP (0.53) PNPMEN1ALDH1A1KMT2AKDM4E
SCHEMBL14079841 0.79 PNP (0.66) PNPMEN1ALDH1A1KMT2AKDM4E
SCHEMBL2343355 0.78 PNP (0.59) PNPMEN1ALDH1A1KMT2AKDM4E
SCHEMBL350396 0.76 PNP (0.61) PNPMEN1ALDH1A1KMT2AKDM4E
SCHEMBL7442898 0.76 PNP (0.53) PNPMEN1ALDH1A1KMT2AHIF1A
SCHEMBL29980195 0.76 PNP (0.53) PNPMEN1ALDH1A1KMT2AKDM4E
SCHEMBL1767745 0.75 PNP (0.56) PNPMEN1ALDH1A1KMT2AKDM4E
SCHEMBL9960811 0.75 PNP (0.71) PNPMEN1ALDH1A1KMT2AKDM4E
SCHEMBL5935062 0.75 PNP (0.70) PNPMEN1ALDH1A1KMT2AHIF1A

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-20080139496-A1 COMBINATION THERAPY FOR REDUCTION OF TOXICITY OF CHEMOTHERAPEUTIC AGENTS CASCADE ESTATE LTD. (GB) 2008-06-12 US disclosed
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 US disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5504093-A ADMINISTERING A CARBOSTYRIL DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-04-02 US disclosed