SCHEMBL2907887

SCHEMBL2907887

Nc1nc(Sc2ccc([N+](=O)[O-])cc2)c2ncn(CC3([O])CC3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
SLC29A1 Q99808 9/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
DHFR P00374 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.37

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
SCHEMBL2914545 0.83 CYP1A2 (0.40) CYP1A2ADORA2AADORA1SLC29A1CYP3A4
SCHEMBL3001859 0.81 CYP1A2 (0.39) CYP1A2ADORA2AADORA1SLC29A1CYP3A4
SCHEMBL3001864 0.81 CYP1A2 (0.39) CYP1A2ADORA2AADORA1SLC29A1CYP3A4
SCHEMBL6053569 0.78 CYP1A2 (0.40) CYP1A2ADORA2AADORA1SLC29A1CYP3A4
SCHEMBL2908881 0.78 CYP1A2 (0.40) CYP1A2ADORA2AADORA1SLC29A1CYP3A4
SCHEMBL2983884 0.78 CYP1A2 (0.37) CYP1A2ADORA2AADORA1SLC29A1CYP3A4
SCHEMBL2983874 0.78 CYP1A2 (0.37) CYP1A2ADORA2AADORA1SLC29A1CYP3A4
SCHEMBL2906181 0.76 ABCB11 (0.40) CYP1A2ADORA2AADORA1SLC29A1CYP3A4
SCHEMBL2913683 0.76 SLC29A1 (0.37) CYP1A2ADORA2AADORA1SLC29A1CYP3A4
SCHEMBL4271729 0.76 CYP1A2 (0.35) CYP1A2ADORA2AADORA1SLC29A1CYP3A4

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
EP-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 EP claimed
EP-1358198-A4 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2008-03-05 EP claimed
EP-1358198-A1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG Chem Investment, Ltd. (KR) 2003-11-05 EP claimed
WO-2002057288-A1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD. (KR) 2002-07-25 WO claimed