SCHEMBL9663409

SCHEMBL9663409

CSCC[C@H](N)C(=O)On1cnc2c(N)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 8/20 0.58
DOT1L Q8TEK3 3/20 0.43
CARM1 Q86X55 2/20 0.43
EHMT2 Q96KQ7 2/20 0.43
HNMT P50135 2/20 0.43
EZH2 Q15910 2/20 0.43
TRDMT1 O14717 1/20 0.43
PRMT5 O14744 1/20 0.43
SUV39H1 O43463 1/20 0.43
PRMT3 O60678 1/20 0.43
INMT O95050 1/20 0.43
NSD2 O96028 1/20 0.43
PNMT P11086 1/20 0.43
DNMT1 P26358 1/20 0.43
NNMT P40261 1/20 0.43
WDR5 P61964 1/20 0.43
KMT2A Q03164 1/20 0.43
SETDB1 Q15047 1/20 0.43
RBBP5 Q15291 1/20 0.43
METTL3 Q86U44 1/20 0.43

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
SCHEMBL28077123 0.83 NNMT (0.45) MARS1NNMTPRMT1ALDH1A1GSK3B
SCHEMBL1577868 0.82 ADORA2A (0.46) MARS1EHMT2ALDH1A1GSK3BADORA2A
SCHEMBL4201622 0.78 ALDH1A1 (0.42) MARS1ALDH1A1GSK3BADORA2AADORA1
SCHEMBL28406873 0.77 ADORA2A (0.50) ALDH1A1GSK3BADORA2AADORA1AHCY
SCHEMBL9732187 0.76 ALDH1A1 (0.43) DOT1LALDH1A1GSK3BADORA2AADORA1
SCHEMBL7197911 0.76 HARS1 (0.50) MARS1ALDH1A1GSK3B
SCHEMBL14125909 0.75 ADORA2A (0.51) ALDH1A1GSK3BADORA2AADORA1AHCY
SCHEMBL583457 0.74 MARS1 (1.00) MARS1DOT1LCARM1EHMT2HNMT
SCHEMBL3014292 0.74 MARS1 (1.00) MARS1DOT1LCARM1EHMT2HNMT
SCHEMBL28406876 0.73 ADORA2A (0.50) ALDH1A1GSK3BADORA2AADORA1AHCY

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