SCHEMBL881945

SCHEMBL881945

C[C@H](PNBO)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
P2RY2 P41231 2/20 0.39
P2RY12 Q9H244 1/20 0.38
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
RNASE1 P07998 1/20 0.35

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
SCHEMBL23710652 0.83 POLB (0.46) POLBMEN1USP2KMT2ATDP1
SCHEMBL805047 0.83 POLB (0.46) POLBMEN1USP2KMT2ATDP1
SCHEMBL800240 0.82 POLB (0.46) POLBMEN1USP2KMT2ATDP1
SCHEMBL800696 0.82 POLB (0.46) POLBMEN1USP2KMT2ATDP1
SCHEMBL10280341 0.81 POLB (0.51) POLBMEN1USP2KMT2AP2RY12
SCHEMBL882310 0.76 TSHR (0.36)
SCHEMBL13190375 0.75 ABCB1 (0.34) KMT2A
SCHEMBL13190552 0.75 ABCB1 (0.34) KMT2A
SCHEMBL5547205 0.75 MEN1 (0.58) POLBMEN1USP2KMT2AP2RY2
SCHEMBL12473580 0.75 MEN1 (0.58) POLBMEN1USP2KMT2AP2RY2

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
WO-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed