SCHEMBL881488

SCHEMBL881488

C[C@H]1[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1c1cnc2c(N)ncnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ P2RX3 P56373 2/20 0.40
▸ P2RX4 Q99571 2/20 0.40
▸ P2RX2 Q9UBL9 2/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HRAS P01112 1/20 0.38
▸ ENPP1 P22413 1/20 0.37
▸ GAPDH P04406 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GSK3A P49840 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ KDR P35968 1/20 0.34

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
SCHEMBL882318 0.87 MEN1 (0.46) MEN1USP2POLBKMT2AP2RX3
SCHEMBL16480685 0.87 MEN1 (0.46) MEN1USP2POLBKMT2AP2RX3
SCHEMBL24791257 0.80 NPC1 (0.40) MEN1USP2POLBKMT2AEGFR
SCHEMBL882554 0.80 MEN1 (0.38) MEN1USP2POLBKMT2AP2RX3
SCHEMBL10149693 0.80 MEN1 (0.38) MEN1USP2POLBKMT2AP2RX3
SCHEMBL10171930 0.79 MAPT (0.41) MEN1USP2POLBKMT2AP2RX3
SCHEMBL24917291 0.78 ALDH1A1 (0.38) MEN1USP2POLBKMT2AALDH1A1
SCHEMBL4570561 0.74 TSHR (0.53) MEN1USP2POLBKMT2ACA1
SCHEMBL10187245 0.74 NPC1 (0.36) POLBALDH1A1
SCHEMBL12222452 0.74 P2RX3 (0.64) P2RX3P2RX4P2RX2ENPP1GSK3A

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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