SCHEMBL10693613

SCHEMBL10693613

OC[C@H]1O[C@@H](n2cnc3cnc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.69
▸ PKM P14618 1/20 0.69
▸ LMNA P02545 1/20 0.67
▸ TP53 P04637 1/20 0.67
▸ ADORA3 P0DMS8 1/20 0.58
▸ ADORA2A P29274 1/20 0.58
▸ ADORA2B P29275 1/20 0.58
▸ ADORA1 P30542 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.57
▸ HPGD P15428 1/20 0.56

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
SCHEMBL6300238 1.00 KDM4E (0.69) KDM4EPKMLMNATP53ADORA3
SCHEMBL6687832 0.86 KDM4E (0.71) KDM4EPKMLMNATP53ADORA3
SCHEMBL23710624 0.85 KDM4E (0.69) KDM4EPKMLMNATP53ADORA3
SCHEMBL29471286 0.85 KDM4E (0.69) KDM4EPKMLMNATP53ADORA3
SCHEMBL3660398 0.85 KDM4E (0.69) KDM4EPKMLMNATP53ADORA3
SCHEMBL1494485 0.85 KDM4E (0.69) KDM4EPKMLMNATP53ADORA3
SCHEMBL1494490 0.85 KDM4E (0.69) KDM4EPKMLMNATP53ADORA3
SCHEMBL17203129 0.82 LMNA (0.60) KDM4EPKMLMNATP53ADORA2A
SCHEMBL29086896 0.82 LMNA (0.53) KDM4EPKMLMNATP53ADORA3
SCHEMBL29997464 0.82 KDM4E (1.00) KDM4EPKMLMNATP53ADORA3

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
EP-0269574-A2 Novel adenosine derivatives and pharmaceutical compositions containing them as an active ingredient NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1988-06-01 — — EP disclosed
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