SCHEMBL91053

SCHEMBL91053

NCc1cn([C@@H]2O[C@H](CN3CC3)C(O)C2O)c2ncnc(N)c12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADK P55263 18/20 0.59
DOT1L Q8TEK3 2/20 0.53
NPC1 O15118 1/20 0.53
GALR3 O60755 1/20 0.53
S1PR4 O95977 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
S1PR1 P21453 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
PAX8 Q06710 1/20 0.53

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 0.90 ADK (0.55) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL90991 0.90 ADK (0.55) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL25027456 0.87 ADK (0.69) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL12522464 0.81 ADK (0.60) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL10069367 0.80 ADK (0.49) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL6685798 0.79 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL59610 0.78 DPP4 (0.74) DOT1L
SCHEMBL173151 0.78 DPP4 (0.74) DOT1L
SCHEMBL13986299 0.78 DPP4 (0.74) DOT1L
SCHEMBL8333514 0.74 ADK (1.00) ADK

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
US-8129106-B2 Sequence-specific detection of methylation in biomolecules Max-Planck-Geselischaft zur Forderung der Wissenschaften E.V. (DE) 2012-03-06 US disclosed