SCHEMBL28822178

SCHEMBL28822178

CO[C@@H]1[C@H](O)[C@@H](C(O)P(=O)(O)O)O[C@H]1n1ccc(N)nc1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.53
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
MTOR P42345 1/20 0.47
MDM2 Q00987 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
TSHR P16473 1/20 0.42
GLA P06280 1/20 0.42
P2RY2 P41231 1/20 0.42
ST6GAL1 P15907 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
POLA1 P09884 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL28822175 1.00 NT5E (0.53) NT5ELMNATHRBMTORMDM2
SCHEMBL30256934 0.87 NT5E (0.52) NT5ELMNATHRBMTORMDM2
SCHEMBL30256877 0.87 NT5E (0.52) NT5ELMNATHRBMTORMDM2
SCHEMBL27938161 0.87 NT5E (0.68) NT5ELMNATHRBMTORMDM2
SCHEMBL6571375 0.87 NT5E (0.68) NT5ELMNATHRBMTORMDM2
SCHEMBL13271029 0.82 LMNA (0.60) NT5ELMNATHRBMTORMDM2
SCHEMBL26083563 0.81 NT5E (0.53) NT5ELMNATHRBMTORMDM2
SCHEMBL26692867 0.81 NT5E (0.53) NT5ELMNATHRBMTORMDM2
SCHEMBL26692863 0.81 NT5E (0.53) NT5ELMNATHRBMTORMDM2
SCHEMBL26083706 0.81 NT5E (0.53) NT5ELMNATHRBMTORMDM2

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
CN-105247051-A Organic compositions for treating EPAS 1-related diseases NOVARTIS AG 2016-01-13 CN disclosed