SCHEMBL4964071

SCHEMBL4964071

CC1CC1(Cn1cnc2c(Sc3ccc([N+](=O)[O-])cc3)nc(N)nc21)OC[CH]O[PH](=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC29A1 Q99808 1/20 0.33
CYP1A2 P05177 2/20 0.33
HBB P68871 1/20 0.31

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
SCHEMBL2908647 0.84 ABCB11 (0.39) LMNARAB9ACYP3A4PKMHPGD
SCHEMBL2906962 0.82 ABCB11 (0.36) LMNARAB9ACYP3A4PKMHPGD
SCHEMBL2908881 0.78 CYP1A2 (0.40) LMNARAB9ACYP3A4PKMHPGD
SCHEMBL6053569 0.78 CYP1A2 (0.40) LMNARAB9ACYP3A4PKMHPGD
SCHEMBL2937343 0.76 CYP1A2 (0.36) LMNARAB9ACYP3A4PKMHPGD
SCHEMBL2906181 0.75 ABCB11 (0.40) LMNARAB9ACYP3A4PKMHPGD
SCHEMBL2910744 0.74 ABCB11 (0.40)
SCHEMBL2906360 0.74 SLC29A1 (0.36) LMNARAB9ACYP3A4PKMHPGD
SCHEMBL4264484 0.74 CYP1A2 (0.34) LMNARAB9ACYP3A4PKMHPGD
SCHEMBL3005625 0.73 CYP1A2 (0.37) LMNARAB9ACYP3A4PKMHPGD

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
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 disclosed
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 disclosed
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 disclosed