SCHEMBL5944111

SCHEMBL5944111

CCNC(=O)[C@@]1(CCOCCOCCNC(=O)OCc2ccccc2)O[C@@H](n2cnc3c(N)ncnc32)[C@@]2(O)C(C)(C)[C@]21O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 5/20 0.47
▸ ADORA3 P0DMS8 3/20 0.44
▸ ADORA2A P29274 3/20 0.44
▸ AHCY P23526 3/20 0.42
▸ HSP90B1 P14625 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TSHR P16473 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ TMIGD3 P0DMS9 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PRKACA P17612 1/20 0.36

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
SCHEMBL5943937 0.91 DOT1L (0.52) DOT1LADORA3ADORA2AAHCYHSP90B1
SCHEMBL5944004 0.74 DOT1L (0.61) DOT1LADORA3ADORA2AAHCYHSP90B1
SCHEMBL30238902 0.71 DOT1L (0.65) DOT1LAHCYCARM1RXFP1KMT2A
SCHEMBL6298535 0.69 ADORA2A (0.53) DOT1LADORA3ADORA2AAHCYHSP90B1
SCHEMBL30239396 0.68 DOT1L (0.57) DOT1LAHCYRXFP1KMT2APRKACA
SCHEMBL9970273 0.68 DOT1L (0.69) DOT1LAHCYCARM1RXFP1PRKACA
SCHEMBL9970168 0.68 DOT1L (0.69) DOT1LAHCYCARM1RXFP1PRKACA
SCHEMBL9970708 0.67 DOT1L (0.61) DOT1LAHCYCARM1RXFP1KMT2A
SCHEMBL9970202 0.66 DOT1L (0.61) DOT1LAHCYCARM1RXFP1PRKACA
SCHEMBL15829716 0.66 DOT1L (0.61) DOT1LAHCYCARM1RXFP1PRKACA

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-20060211045-A1 Fluorescently tagged ligands CELLAURA TECHNOLOGIES LIMITED (GB) 2006-09-21 — — US disclosed
Send feedback