SCHEMBL25048779

SCHEMBL25048779

CCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(NC)c12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 6/20 0.75
▸ HIF1A Q16665 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ STAT6 P42226 2/20 0.55
▸ SLC29A1 Q99808 1/20 0.54
▸ PAX8 Q06710 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ DOT1L Q8TEK3 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ GALR3 O60755 1/20 0.52
▸ S1PR4 O95977 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ S1PR1 P21453 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALOX15 P16050 1/20 0.52

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
SCHEMBL25047878 0.90 ADK (0.61) ADKHIF1ATP53STAT6DOT1L
SCHEMBL17816344 0.87 ADK (0.78) ADKHIF1ATP53STAT6SLC29A1
SCHEMBL17800832 0.86 ADK (1.00) ADKHIF1ATP53STAT6SLC29A1
SCHEMBL31617931 0.86 ADK (1.00) ADKHIF1ATP53STAT6SLC29A1
SCHEMBL16330689 0.85 ADK (0.72) ADKHIF1ATP53STAT6SLC29A1
SCHEMBL17800864 0.83 ADK (0.72) ADKHIF1ATP53STAT6SLC29A1
SCHEMBL16330688 0.83 HIF1A (0.76) ADKHIF1ATP53STAT6SLC29A1
SCHEMBL17800859 0.82 ADK (0.80) ADK
SCHEMBL17800851 0.80 ADK (0.67) ADKHIF1ATP53STAT6ALDH1A1
SCHEMBL17800845 0.79 ADK (0.66) ADKHIF1ATP53STAT6SLC29A1

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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