Adenine

Adenine

SCHEMBL9663399

CSCCC(N)C(=O)O.Nc1ncnc2[nH]cnc12

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 8/20 0.43
DOT1L Q8TEK3 3/20 0.40
CARM1 Q86X55 3/20 0.40
NSD2 O96028 3/20 0.40
EHMT2 Q96KQ7 2/20 0.40
DNMT1 P26358 2/20 0.40
DNMT3B Q9UBC3 2/20 0.40
HNMT P50135 2/20 0.40
SETD7 Q8WTS6 2/20 0.40
PRMT1 Q99873 2/20 0.40
EZH2 Q15910 2/20 0.40
TRDMT1 O14717 1/20 0.40
PRMT5 O14744 1/20 0.40
SUV39H1 O43463 1/20 0.40
PRMT3 O60678 1/20 0.40
INMT O95050 1/20 0.40
PNMT P11086 1/20 0.40
NNMT P40261 1/20 0.40
WDR5 P61964 1/20 0.40
KMT2A Q03164 1/20 0.40

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
Adenine SCHEMBL23928076 0.99 MARS1 (0.42) MARS1DOT1LCARM1NSD2EHMT2
Dl-Tryptophan SCHEMBL8984731 0.84 KMT2A (0.55) KMT2AMAPT
Adenine SCHEMBL9663406 0.82 PI4KA (0.52) MARS1
Adenine SCHEMBL1577865 0.81 SLC7A5 (0.47) NSD2EHMT2EZH2
Adenine SCHEMBL23928077 0.81 PI4KA (0.54) MARS1
SCHEMBL9176272 0.79 NOTUM (0.39) DOT1LCARM1NSD2EHMT2DNMT1
SCHEMBL9176240 0.79 NOTUM (0.39) DOT1LCARM1NSD2EHMT2DNMT1
Adenine SCHEMBL4201611 0.78 PTGS1 (0.41) DOT1LCARM1NSD2EHMT2SETD7
Adenine SCHEMBL14125907 0.77 PI4KA (0.39)
Adenine SCHEMBL385841 0.75 PI4KA (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020155742-A1 METHOD FOR DERIVING ALDEHYDE-BASED PYRIMIDINE, METHOD FOR DETECTING 5-ALDEHYDE CYTOSINE, AND USE OF ALDEHYDE-BASED PYRIMIDINE DERIVATIVE 四川大学 2020-08-06 WO disclosed
EP-0506789-A1 CLONING VECTOR FOR USE IN LACTIC ACID BACTERIA AND A METHOD FOR CONSTRUCTING THE SAME. VALIO FINNISH COOPERATIVE DAIR (FI) 1992-10-07 EP disclosed
WO-1991009132-A1 CLONING VECTOR FOR USE IN LACTIC ACID BACTERIA AND A METHOD FOR CONSTRUCTING THE SAME VALIO FINNISH COOPERATIVE DAIRIES ASSOCIATION (FI) 1991-06-27 WO disclosed