SCHEMBL12284106

SCHEMBL12284106

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.62
▸ PAX8 Q06710 1/20 0.62
▸ ADK P55263 6/20 0.49
▸ TMEM97 Q5BJF2 3/20 0.49
▸ SIGMAR1 Q99720 2/20 0.49
▸ DOT1L Q8TEK3 3/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ PRMT5 O14744 1/20 0.46
▸ PRMT3 O60678 1/20 0.46
▸ DNMT1 P26358 1/20 0.46
▸ EHMT2 Q96KQ7 1/20 0.46

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
SCHEMBL16330666 0.91 HIF1A (0.65) HIF1APAX8ADKTMEM97SIGMAR1
SCHEMBL16330670 0.89 HIF1A (0.65) HIF1APAX8ADKTMEM97SIGMAR1
SCHEMBL16330668 0.88 HIF1A (0.66) HIF1APAX8ADKTMEM97SIGMAR1
SCHEMBL12284350 0.87 TP53 (0.56) HIF1APAX8ADKTMEM97SIGMAR1
SCHEMBL16330669 0.86 HIF1A (0.59) HIF1APAX8ADKTMEM97SIGMAR1
SCHEMBL16330722 0.84 HIF1A (0.65) HIF1APAX8ADKTMEM97SIGMAR1
SCHEMBL16330675 0.83 HIF1A (0.64) HIF1APAX8ADKTMEM97SIGMAR1
SCHEMBL16330723 0.83 HIF1A (0.63) HIF1APAX8ADKTMEM97SIGMAR1
SCHEMBL14616896 0.82 HIF1A (0.72) HIF1APAX8ADKTMEM97SIGMAR1
SCHEMBL16330765 0.82 HIF1A (0.54) HIF1APAX8ADKTMEM97SIGMAR1

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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