SCHEMBL19953837

SCHEMBL19953837

CC1(C)O[C@@H]2[C@H](O1)[C@H](n1cnc3c(N)ncnc31)O[C@@H]2CN=[N+]=[N-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 2/20 0.71
▸ PI4K2B Q8TCG2 2/20 0.71
▸ PI4K2A Q9BTU6 2/20 0.71
▸ PI4KB Q9UBF8 2/20 0.71
▸ AHCY P23526 1/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.62
▸ P2RX3 P56373 3/20 0.59
▸ P2RX1 P51575 2/20 0.59
▸ P2RX4 Q99571 2/20 0.59
▸ AMD1 P17707 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ GAA P10253 1/20 0.48
▸ DPP4 P27487 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ SLC28A1 O00337 1/20 0.47
▸ MAP3K7 O43318 1/20 0.47
▸ SLC28A2 O43868 1/20 0.47
▸ GAPDH P04406 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL16141172 1.00 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL23120996 1.00 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL13435086 1.00 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL13623625 1.00 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL13610771 1.00 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL24450953 0.87 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL16976156 0.86 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL15381063 0.86 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL9940772 0.84 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL12928304 0.84 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBAHCY

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
US-9914924-B2 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2018-03-13 — — US disclosed
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