SCHEMBL25899717

SCHEMBL25899717

C[C@H]1C(n2cnc3c(NC(=O)CCCCCNC(=O)CCCCCO)ncnc32)OC(CSCCC(N)C(O)=S)[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 12/20 0.55
PRMT1 Q99873 3/20 0.55
DNMT3B Q9UBC3 6/20 0.51
EZH2 Q15910 3/20 0.51
DNMT1 P26358 5/20 0.51
CARM1 Q86X55 2/20 0.49
EHMT2 Q96KQ7 2/20 0.49
TRDMT1 O14717 1/20 0.49
PRMT5 O14744 1/20 0.49
SUV39H1 O43463 1/20 0.49
PRMT3 O60678 1/20 0.49
INMT O95050 1/20 0.49
NSD2 O96028 1/20 0.49
PNMT P11086 1/20 0.49
NNMT P40261 1/20 0.49
HNMT P50135 1/20 0.49
WDR5 P61964 1/20 0.49
KMT2A Q03164 1/20 0.49
SETDB1 Q15047 1/20 0.49
RBBP5 Q15291 1/20 0.49

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
SCHEMBL21553887 0.81 DOT1L (0.55) DOT1LPRMT1DNMT3BEZH2DNMT1
SCHEMBL21553884 0.76 DOT1L (0.59) DOT1LPRMT1DNMT3BEZH2DNMT1
SCHEMBL25899380 0.74 DOT1L (0.57) DOT1LPRMT1DNMT3BEZH2DNMT1
SCHEMBL18137735 0.73 DOT1L (0.53) DOT1LEZH2
SCHEMBL21553970 0.73 DOT1L (0.58) DOT1LPRMT1DNMT3BEZH2DNMT1
SCHEMBL14191440 0.72 DOT1L (1.00) DOT1LPRMT1DNMT3BEZH2DNMT1
SCHEMBL14174642 0.72 DOT1L (1.00) DOT1LPRMT1DNMT3BEZH2DNMT1
SCHEMBL9058595 0.72 DOT1L (1.00) DOT1LPRMT1DNMT3BEZH2DNMT1
SCHEMBL14174641 0.71 DOT1L (1.00) DOT1LPRMT1DNMT3BEZH2DNMT1
SCHEMBL30979358 0.71 DOT1L (0.85) DOT1LPRMT1DNMT3BEZH2DNMT1

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
EP-4219518-A2 BIOCONJUGATES OF HETEROCYCLIC COMPOUNDS Taizhou Huifeng Hetai Biotechnology Co. Ltd (CN) 2023-08-02 EP disclosed