SCHEMBL5664518

SCHEMBL5664518

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(OC(=O)c2ccc(C(=O)c3ccccc3)cc2)C1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 1/20 0.74
▸ P2RX3 P56373 2/20 0.59
▸ P2RX4 Q99571 2/20 0.59
▸ P2RX2 Q9UBL9 2/20 0.59
▸ ADORA3 P0DMS8 3/20 0.59
▸ DOT1L Q8TEK3 2/20 0.59
▸ ADORA1 P30542 2/20 0.59
▸ DPP4 P27487 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ SLC28A1 O00337 1/20 0.59
▸ MAP3K7 O43318 1/20 0.59
▸ SLC28A2 O43868 1/20 0.59
▸ GAPDH P04406 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ ADORA2A P29274 1/20 0.59
▸ ADORA2B P29275 1/20 0.59
▸ STAT6 P42226 1/20 0.59
▸ PI4KA P42356 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL5664510 1.00 ENPP1 (0.74) ENPP1P2RX3P2RX4P2RX2ADORA3
SCHEMBL5797743 0.89 P2RX3 (0.66) ENPP1P2RX3P2RX4P2RX2ADORA3
SCHEMBL13046091 0.89 P2RX3 (0.66) ENPP1P2RX3P2RX4P2RX2ADORA3
SCHEMBL5797749 0.89 P2RX3 (0.66) ENPP1P2RX3P2RX4P2RX2ADORA3
SCHEMBL532929 0.88 ENPP1 (0.71) ENPP1P2RX3P2RX4P2RX2ADORA1
SCHEMBL5983100 0.88 ENPP1 (0.71) ENPP1P2RX3P2RX4P2RX2ADORA1
SCHEMBL5794949 0.88 ENPP1 (0.71) ENPP1P2RX3P2RX4P2RX2ADORA1
SCHEMBL532930 0.88 ENPP1 (0.71) ENPP1P2RX3P2RX4P2RX2ADORA1
SCHEMBL29810828 0.86 ENPP1 (0.99) ENPP1P2RX3P2RX4P2RX2SMN1; SMN2
SCHEMBL6268270 0.86 TYMP (0.57) ENPP1P2RX3P2RX4P2RX2ADORA3

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-2006014055-A1 METHODS FOR INTERLEUKIN-10 EXPRESSION IN MICROGLIAL CELLS AJOU UNIVERSITY INDUSTRY COOPERATION FOUNDATION (KR) 2006-02-09 — — WO disclosed
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