SCHEMBL7723990

SCHEMBL7723990

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(OCC(F)(F)F)C2CCOCC2)[C@@H](O)[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.51
▸ ADORA2A P29274 3/20 0.51
▸ ADORA1 P30542 3/20 0.51
▸ EHMT1 Q9H9B1 4/20 0.50
▸ EHMT2 Q96KQ7 3/20 0.50
▸ ADORA2B P29275 3/20 0.50
▸ PRMT5 O14744 1/20 0.50
▸ WDR77 Q9BQA1 1/20 0.50
▸ DPP4 P27487 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ SLC28A1 O00337 1/20 0.50
▸ MAP3K7 O43318 1/20 0.50
▸ SLC28A2 O43868 1/20 0.50
▸ GAPDH P04406 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ STAT6 P42226 1/20 0.50
▸ PI4KA P42356 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PI4K2B Q8TCG2 1/20 0.50

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
SCHEMBL7723981 0.93 EHMT1 (0.54) ADORA3ADORA2AADORA1EHMT1EHMT2
SCHEMBL7733959 0.89 AHCY (0.53) ADORA3ADORA2AADORA1EHMT1EHMT2
SCHEMBL7732659 0.84 AHCY (0.52) ADORA3ADORA2AADORA1EHMT1EHMT2
SCHEMBL7733927 0.84 AHCY (0.52) ADORA3ADORA2AADORA1EHMT1EHMT2
SCHEMBL5349884 0.83 HSP90B1 (0.57) ADORA3ADORA2AADORA1EHMT1EHMT2
SCHEMBL7734141 0.81 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BPRMT5
SCHEMBL7735006 0.80 AHCY (0.52) ADORA3ADORA2AADORA1EHMT1EHMT2
SCHEMBL5361659 0.79 ADORA3 (0.57) ADORA3ADORA2AADORA1EHMT1EHMT2
SCHEMBL5354507 0.78 ADORA3 (0.56) ADORA3ADORA2AADORA1EHMT1EHMT2
SCHEMBL7734952 0.78 PRMT5 (0.60) ADORA3ADORA2AADORA1ADORA2BPRMT5

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-6407076-B1 ANTIISCHEMIC, ANTILIPOLYTIC, ANTICONVULSANT AND HYPOTENSIVE AGENTS; CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS; ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION 2002-06-18 — — US claimed
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