SCHEMBL7688901

SCHEMBL7688901

O=c1[nH]c(Nc2ccccc2)nc2c1ncn2COCCO

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.70
USP2 O75604 1/20 0.64
PNP P00491 1/20 0.64
TSHR P16473 1/20 0.64
EDNRA P25101 1/20 0.64
HTR2A P28223 1/20 0.64
RECQL P46063 1/20 0.64
BLM P54132 1/20 0.64
HBB P68871 1/20 0.64
HSD17B10 Q99714 1/20 0.64

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
SCHEMBL8535266 0.85 TK1 (0.85) TK1
SCHEMBL17478573 0.85 POLA1 (0.58) TK1USP2PNPTSHREDNRA
SCHEMBL16082172 0.84 PNP (0.72) TK1USP2PNPTSHREDNRA
SCHEMBL12786366 0.83 PNP (0.70) TK1USP2PNPTSHREDNRA
SCHEMBL10649363 0.83 PNP (0.64) TK1USP2PNPTSHREDNRA
SCHEMBL1506775 0.83 TK1 (1.00) TK1
SCHEMBL8444939 0.81 MEN1 (0.80) TK1USP2PNPTSHREDNRA
SCHEMBL8539795 0.80 TK1 (0.69) TK1
SCHEMBL8537887 0.79 TK1 (0.68) TK1TSHR
SCHEMBL8654298 0.79 PNP (0.52) TK1USP2PNPTSHREDNRA

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
JP-2002502875-A 2002-01-29 JP claimed
EP-1061922-A1 USE OF $i(N)-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 2000-12-27 EP claimed
WO-1999040916-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 1999-08-19 WO claimed