SCHEMBL13977691

SCHEMBL13977691

CS(=O)(=O)NCCCCCC(=O)NCCNc1nc(N)c2ncn([C@@H]3O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 8/20 0.61
DNMT3B Q9UBC3 6/20 0.61
DOT1L Q8TEK3 10/20 0.56
EZH2 Q15910 3/20 0.56
CARM1 Q86X55 2/20 0.56
EHMT2 Q96KQ7 2/20 0.56
PRMT1 Q99873 2/20 0.56
TRDMT1 O14717 1/20 0.56
PRMT5 O14744 1/20 0.56
SUV39H1 O43463 1/20 0.56
PRMT3 O60678 1/20 0.56
INMT O95050 1/20 0.56
NSD2 O96028 1/20 0.56
PNMT P11086 1/20 0.56
NNMT P40261 1/20 0.56
HNMT P50135 1/20 0.56
WDR5 P61964 1/20 0.56
KMT2A Q03164 1/20 0.56
SETDB1 Q15047 1/20 0.56
RBBP5 Q15291 1/20 0.56

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
SCHEMBL13966926 0.90 NSD2 (0.56) DNMT1DNMT3BDOT1LCARM1EHMT2
SCHEMBL13976131 0.90 ADORA2A (0.48) DNMT1DNMT3BFASN
SCHEMBL13978090 0.89 ADORA3 (0.53)
SCHEMBL13978307 0.88 EZH2 (0.58) DNMT1DNMT3BDOT1LEZH2PRMT1
SCHEMBL13976436 0.88 EZH2 (0.58) DNMT1DNMT3BDOT1LEZH2PRMT1
SCHEMBL13978308 0.87 SMYD3 (0.53) DOT1LEZH2PRMT1TRDMT1WDR5
SCHEMBL17049511 0.87 TRDMT1 (0.51) DNMT1DOT1LEZH2PRMT1TRDMT1
SCHEMBL13976438 0.87 SMYD3 (0.53) DOT1LEZH2PRMT1TRDMT1WDR5
SCHEMBL17049513 0.87 PRKACA (0.56) KMT2A
SCHEMBL13978091 0.86 ADORA2A (0.51)

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-2012159072-A2 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2012-11-22 WO disclosed