SCHEMBL12284350

SCHEMBL12284350

CC(C)NC(C)(C)C(=O)Nc1ncnc2c1c(C(N)=O)cn2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.56
▸ STAT6 P42226 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ADK P55263 5/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ GALR3 O60755 1/20 0.51
▸ S1PR4 O95977 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ S1PR1 P21453 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ TMEM97 Q5BJF2 2/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ HTR2B P41595 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
SCHEMBL16330665 0.91 HIF1A (0.58) TP53STAT6HIF1AADKNPC1
SCHEMBL12284106 0.87 HIF1A (0.62) HIF1AADKPAX8TMEM97OPRK1
SCHEMBL16330689 0.83 ADK (0.72) TP53STAT6HIF1AADKNPC1
SCHEMBL16330725 0.82 HIF1A (0.56) TP53STAT6HIF1AADKNPC1
SCHEMBL16330684 0.82 HIF1A (0.56) TP53STAT6HIF1AADKNPC1
SCHEMBL16330762 0.82 HIF1A (0.48) TP53STAT6HIF1AADKNPC1
SCHEMBL26031534 0.82 HIF1A (0.80) TP53STAT6HIF1AADKNPC1
SCHEMBL16330667 0.81 TP53 (0.55) TP53STAT6HIF1AADKNPC1
SCHEMBL16330692 0.80 HIF1A (0.54) TP53STAT6HIF1AADKNPC1
SCHEMBL23723168 0.78 HIF1A (0.63) TP53STAT6HIF1AADKNPC1

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-2011130599-A1 POLYMERIC CONJUGATES OF ADENINE NUCLEOSIDE ANALOGS ENZON PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
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