SCHEMBL1068575

SCHEMBL1068575

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OC)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.64
▸ TYMP P19971 7/20 0.64
▸ NT5E P21589 1/20 0.51
▸ TRDMT1 O14717 1/20 0.50
▸ 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
▸ ADORA3 P0DMS8 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA2B P29275 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

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
SCHEMBL18042131 0.94 ADORA1 (0.64) ADORA1TYMPNT5ETRDMT1ADORA3
SCHEMBL16715145 0.93 ADORA1 (0.75) ADORA1TYMPTRDMT1SMN1; SMN2
SCHEMBL1068571 0.93 ADORA1 (0.75) ADORA1TYMPTRDMT1SMN1; SMN2
SCHEMBL8359104 0.93 ADORA1 (0.75) ADORA1TYMPTRDMT1SMN1; SMN2
SCHEMBL15993919 0.93 ADORA1 (0.75) ADORA1TYMPTRDMT1SMN1; SMN2
SCHEMBL21905178 0.89 ADORA1 (0.62) ADORA1TYMPNT5ETRDMT1
SCHEMBL29799117 0.89 NT5E (0.65) ADORA1TYMPNT5E
SCHEMBL22930672 0.88 TYMP (0.61) ADORA1TYMPNT5ETRDMT1
SCHEMBL19127994 0.86 TYMP (0.59) ADORA1TYMPNT5ETRDMT1DOT1L
SCHEMBL31670489 0.86 TYMP (0.59) ADORA1TYMPNT5ETRDMT1DOT1L

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-2011005595-A2 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2011-01-13 — — WO disclosed
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