SCHEMBL30225596

SCHEMBL30225596

N[C@@H](CCSC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 7/20 1.00
DOT1L Q8TEK3 13/20 0.80
DNMT1 P26358 6/20 0.80
PRMT1 Q99873 2/20 0.79
CARM1 Q86X55 2/20 0.73
EHMT2 Q96KQ7 2/20 0.73
TRDMT1 O14717 1/20 0.73
PRMT5 O14744 1/20 0.73
SUV39H1 O43463 1/20 0.73
PRMT3 O60678 1/20 0.73
INMT O95050 1/20 0.73
NSD2 O96028 1/20 0.73
PNMT P11086 1/20 0.73
NNMT P40261 1/20 0.73
HNMT P50135 1/20 0.73
WDR5 P61964 1/20 0.73
KMT2A Q03164 1/20 0.73
SETDB1 Q15047 1/20 0.73
RBBP5 Q15291 1/20 0.73
EZH2 Q15910 1/20 0.73

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
SCHEMBL14174638 1.00 DNMT3B (1.00) DNMT3BDOT1LDNMT1PRMT1CARM1
SCHEMBL17309752 1.00 DNMT3B (1.00) DNMT3BDOT1LDNMT1PRMT1CARM1
SCHEMBL14191393 0.90 DNMT3B (0.82) DNMT3BDOT1LDNMT1PRMT1
SCHEMBL14174639 0.89 DOT1L (1.00) DNMT3BDOT1LDNMT1PRMT1
SCHEMBL15633707 0.89 DOT1L (1.00) DNMT3BDOT1LDNMT1PRMT1
SCHEMBL30225773 0.89 DOT1L (1.00) DNMT3BDOT1LDNMT1PRMT1
SCHEMBL14174642 0.88 DOT1L (1.00) DNMT3BDOT1LDNMT1PRMT1CARM1
SCHEMBL9058595 0.88 DOT1L (1.00) DNMT3BDOT1LDNMT1PRMT1CARM1
SCHEMBL14191440 0.88 DOT1L (1.00) DNMT3BDOT1LDNMT1PRMT1CARM1
SCHEMBL5055207 0.87 DNMT3B (1.00) DNMT3BDOT1LDNMT1PRMT1CARM1

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
EP-2952182-B1 Compounds and methods for increasing the immune response to papillomavirus UNIV HEIDELBERG (DE) 2022-11-23 EP claimed
EP-4536250-A1 CANCER TREATMENT BY ARSENIC TRIOXIDE COMBINATION THERAPY Deutsches Krebsforschungszentrum (DE) 2025-04-16 EP disclosed
WO-2023237710-A1 CANCER TREATMENT BY ARSENIC TRIOXIDE COMBINATION THERAPY Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2023-12-14 WO disclosed