SCHEMBL7734141

SCHEMBL7734141

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(OCC(F)(F)F)C2C=CC=C2O)[C@@H](O)[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.49
▸ ADORA2A P29274 2/20 0.49
▸ ADORA1 P30542 2/20 0.49
▸ PRMT5 O14744 1/20 0.49
▸ WDR77 Q9BQA1 1/20 0.49
▸ ADORA2B P29275 2/20 0.48
▸ DPP4 P27487 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ SLC28A1 O00337 1/20 0.48
▸ MAP3K7 O43318 1/20 0.48
▸ SLC28A2 O43868 1/20 0.48
▸ GAPDH P04406 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ STAT6 P42226 1/20 0.48
▸ PI4KA P42356 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PI4K2B Q8TCG2 1/20 0.48
▸ DOT1L Q8TEK3 1/20 0.48
▸ SLC29A1 Q99808 1/20 0.48

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 0.82 EHMT1 (0.54) ADORA3ADORA2AADORA1PRMT5WDR77
SCHEMBL7723990 0.81 ADORA3 (0.51) ADORA3ADORA2AADORA1PRMT5WDR77
SCHEMBL7734952 0.77 PRMT5 (0.60) ADORA3ADORA2AADORA1PRMT5WDR77
SCHEMBL800351 0.75 PRMT5 (0.64) ADORA3ADORA2AADORA1PRMT5WDR77
SCHEMBL800776 0.75 PRMT5 (0.64) ADORA3ADORA2AADORA1PRMT5WDR77
SCHEMBL25390909 0.74 AHCY (0.66) ADORA3ADORA2AADORA1PRMT5WDR77
SCHEMBL4650654 0.74 AHCY (0.66) ADORA3ADORA2AADORA1PRMT5WDR77
SCHEMBL25390247 0.74 AHCY (0.66) ADORA3ADORA2AADORA1PRMT5WDR77
SCHEMBL8990546 0.74 AHCY (0.66) ADORA3ADORA2AADORA1PRMT5WDR77
SCHEMBL26239612 0.74 AHCY (0.66) ADORA3ADORA2AADORA1PRMT5WDR77

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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