SCHEMBL2906962

SCHEMBL2906962

[CH2]OP(=O)(COC1(Cn2cnc3c(Sc4ccc([N+](=O)[O-])cc4)nc(N)nc32)CC1C)OCOC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.36
POLA1 P09884 1/20 0.36
POLG P54098 1/20 0.36
FAP Q12884 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
CYP1A2 P05177 2/20 0.33
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
CYP3A4 P08684 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC29A1 Q99808 1/20 0.31
HBB P68871 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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 0.96 ABCB11 (0.39) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL4973668 0.91 ABCB11 (0.37) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2910744 0.86 ABCB11 (0.40) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2906181 0.86 ABCB11 (0.40) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL6053569 0.84 CYP1A2 (0.40) CYP1A2LMNARAB9ACYP3A4PKM
SCHEMBL2908881 0.84 CYP1A2 (0.40) CYP1A2LMNARAB9ACYP3A4PKM
SCHEMBL2913547 0.83 FAP (0.43) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL4964071 0.82 LMNA (0.33) CYP1A2LMNARAB9ACYP3A4PKM
SCHEMBL2914722 0.82 ABCB11 (0.39) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2908593 0.81 ABCB11 (0.38) ABCB11POLA1POLGFAPSLC22A6

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 1 patent. 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