SCHEMBL10069367

SCHEMBL10069367

CCC(=O)NCCCc1cn([C@@H]2O[C@H](CN3CC3)C(O)C2O)c2ncnc(N)c12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADK P55263 10/20 0.49
PRMT5 O14744 5/20 0.46
WDR77 Q9BQA1 1/20 0.46
DOT1L Q8TEK3 5/20 0.44
NPC1 O15118 1/20 0.43
GALR3 O60755 1/20 0.43
S1PR4 O95977 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
S1PR1 P21453 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
PRMT3 O60678 1/20 0.43
DNMT1 P26358 1/20 0.43
NNMT P40261 1/20 0.43
AHCY P23526 1/20 0.42
METTL3 Q86U44 1/20 0.42

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
SCHEMBL67738 0.84 ADK (0.55) ADKPRMT5WDR77DOT1LNPC1
SCHEMBL90991 0.84 ADK (0.55) ADKPRMT5WDR77DOT1LNPC1
SCHEMBL91053 0.80 ADK (0.59) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL90994 0.77 HINT1 (0.41) ADKPRMT5WDR77DOT1LPRMT3
SCHEMBL24191528 0.76 ADK (0.51) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL10067432 0.75 ADK (0.48) ADKPRMT5DOT1LDNMT1METTL3
SCHEMBL31617792 0.70 DOT1L (0.69) PRMT5WDR77DOT1LAHCY
SCHEMBL25047821 0.70 DOT1L (0.69) PRMT5WDR77DOT1LAHCY
SCHEMBL6685798 0.69 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL25027456 0.68 ADK (0.69) ADKDOT1LNPC1GALR3S1PR4

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-1756313-B1 SEQUENCE-SPECIFIC DETECTION OF METHYLATION IN BIOMOLECULES MAX PLANCK GESELLSCHAFT (DE) 2012-06-06 EP disclosed