SCHEMBL20938335

SCHEMBL20938335

Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.55
▸ P2RX4 Q99571 1/20 0.55
▸ P2RX2 Q9UBL9 1/20 0.55
▸ ADK P55263 5/20 0.53
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ DOT1L Q8TEK3 2/20 0.47
▸ PRMT5 O14744 2/20 0.47
▸ PRMT3 O60678 1/20 0.47
▸ DNMT1 P26358 1/20 0.47
▸ NNMT P40261 1/20 0.47
▸ METTL3 Q86U44 4/20 0.47
▸ GAPDH P04406 2/20 0.46
▸ ENPP1 P22413 1/20 0.45

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
SCHEMBL20938425 0.90 P2RX3 (0.54) P2RX3P2RX4P2RX2ADKCA1
SCHEMBL29612073 0.89 MEN1 (0.50) P2RX3P2RX4P2RX2ADKCA1
SCHEMBL18572826 0.89 MEN1 (0.50) P2RX3P2RX4P2RX2ADKCA1
SCHEMBL29611627 0.89 MEN1 (0.50) P2RX3P2RX4P2RX2ADKCA1
SCHEMBL7110607 0.89 P2RX3 (0.53) P2RX3P2RX4P2RX2ADKCA1
SCHEMBL6099599 0.88 P2RX3 (0.55) P2RX3P2RX4P2RX2CA1CA2
SCHEMBL6099608 0.88 P2RX3 (0.55) P2RX3P2RX4P2RX2CA1CA2
SCHEMBL20938423 0.84 P2RX3 (0.49) P2RX3P2RX4P2RX2ADKCA1
SCHEMBL13169185 0.84 P2RX3 (0.75) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL9189337 0.84 P2RX3 (0.75) P2RX3P2RX4P2RX2MEN1USP2

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-2019076633-A1 NUCLEOSIDE ANALOGUES FOR THE TREATMENT OF PARASITIC INFECTIONS UNIVERSITEIT GENT (BE) 2019-04-25 — — WO disclosed
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