SCHEMBL881707

SCHEMBL881707

CSc1nc(N)c2ncc(C3(O)O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3C)n2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY11 Q96G91 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ HRAS P01112 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAPDH P04406 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ P2RX4 Q99571 1/20 0.31
▸ P2RX2 Q9UBL9 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
SCHEMBL882455 0.92 MAPT (0.39) P2RY11MAPTKMT2AMEN1USP2
SCHEMBL10171930 0.85 MAPT (0.41) P2RY11MAPTKMT2AMEN1USP2
SCHEMBL10148643 0.82 P2RY11 (0.37) P2RY11MAPTKMT2AMEN1USP2
SCHEMBL10149715 0.82 P2RY11 (0.37) P2RY11MAPTKMT2AMEN1USP2
SCHEMBL12836612 0.80 MAPT (0.35) P2RY11MAPTKMT2AMEN1USP2
SCHEMBL10171929 0.77 NPC1 (0.35) P2RY11MAPTKMT2AMEN1POLB
SCHEMBL20058768 0.76 MAPT (0.40) MAPTKMT2AMEN1USP2POLB
SCHEMBL10186058 0.74 MAPT (0.35) P2RY11MAPTKMT2AMEN1USP2
SCHEMBL12398065 0.74 MAPT (0.35) P2RY11MAPTKMT2AMEN1USP2
SCHEMBL881368 0.74 MAPT (0.35) P2RY11MAPTKMT2AMEN1USP2

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-2012039787-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
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