SCHEMBL10345329

SCHEMBL10345329

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 6/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ ADORA3 P0DMS8 3/20 0.61
▸ ADORA2A P29274 3/20 0.61
▸ ADORA2B P29275 2/20 0.61
▸ DPP4 P27487 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ SLC28A1 O00337 1/20 0.61
▸ MAP3K7 O43318 1/20 0.61
▸ SLC28A2 O43868 1/20 0.61
▸ GAPDH P04406 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ STAT6 P42226 1/20 0.61
▸ PI4KA P42356 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ PI4K2B Q8TCG2 1/20 0.61
▸ DOT1L Q8TEK3 1/20 0.61
▸ SLC29A1 Q99808 1/20 0.61
▸ PI4K2A Q9BTU6 1/20 0.61
▸ SLC28A3 Q9HAS3 1/20 0.61

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
SCHEMBL10345449 0.92 ADORA1 (0.60) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL7906331 0.90 ADORA1 (0.54) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10275990 0.89 GSK3A (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10345560 0.88 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8328542 0.84 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL622588 0.83 ADORA1 (0.69) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
Hydrochloric Acid SCHEMBL6335984 0.83 ADORA1 (0.70) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10867600 0.83 ADORA1 (0.59) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL3450680 0.83 ADORA1 (0.68) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL7896946 0.82 ADORA1 (0.53) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0179630-B1 N6-ACENAPHTHYL ADENOSINES AND ANALOGS THEREOF WARNER-LAMBERT COMPANY (US) 1990-03-07 — — EP claimed
EP-0179630-A2 N6-acenaphthyl adenosines and analogs thereof WARNER-LAMBERT COMPANY (US) 1986-04-30 — — EP claimed
EP-0179630-B1 N6-ACENAPHTHYL ADENOSINES AND ANALOGS THEREOF WARNER-LAMBERT COMPANY (US) 1990-03-07 — — EP disclosed
EP-0179630-A2 N6-acenaphthyl adenosines and analogs thereof WARNER-LAMBERT COMPANY (US) 1986-04-30 — — EP disclosed
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