SCHEMBL10944136

SCHEMBL10944136

OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UBA6 A0AVT1 1/20 0.77
ATG7 O95352 1/20 0.77
UBA7 P41226 1/20 0.77
NAE1 Q13564 1/20 0.77
UBA3 Q8TBC4 1/20 0.77
SAE1 Q9UBE0 1/20 0.77

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
SCHEMBL11010400 1.00 UBA6 (0.77) UBA6ATG7UBA7NAE1UBA3
SCHEMBL31670659 1.00 UBA6 (0.77) UBA6ATG7UBA7NAE1UBA3
SCHEMBL10699521 1.00 UBA6 (0.77) UBA6ATG7UBA7NAE1UBA3
SCHEMBL10699536 1.00 UBA6 (0.77) UBA6ATG7UBA7NAE1UBA3
SCHEMBL9353260 1.00 UBA6 (0.77) UBA6ATG7UBA7NAE1UBA3
SCHEMBL9353274 1.00 UBA6 (0.77) UBA6ATG7UBA7NAE1UBA3
SCHEMBL10869781 0.95
SCHEMBL10600546 0.95
SCHEMBL10604673 0.95
SCHEMBL10599606 0.92 UBA6 (0.75) UBA6ATG7UBA7NAE1UBA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0144235-A2 N6-(1- and 2-benzocycloalkyl) adenosines, pharmaceutical compositions comprising the same and a process for the production thereof WARNER-LAMBERT COMPANY (US) 1985-06-12 EP claimed
US-4501735-A HYPOTENSIVE AGENTS WARNER-LAMBERT COMPANY (US) 1985-02-26 US disclosed