SCHEMBL5944004

SCHEMBL5944004

CCNC(=O)[C@@]1(CCCCNC(=O)OCc2ccccc2)O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 4/20 0.61
▸ AHCY P23526 2/20 0.53
▸ PRKACA P17612 3/20 0.49
▸ TSHR P16473 2/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ TMIGD3 P0DMS9 1/20 0.46
▸ HSP90B1 P14625 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL5944101 0.83 ADORA3 (0.56) AHCYPRKACATSHRCYP2C19HSP90AA1
SCHEMBL5943937 0.81 DOT1L (0.52) DOT1LAHCYPRKACAADORA3HSP90B1
SCHEMBL5944284 0.77 ADORA3 (0.53) AHCYTSHRCYP2C19HSP90AA1ADORA3
SCHEMBL29540124 0.74 DOT1L (0.61) DOT1LAHCYPRKACA
SCHEMBL9970636 0.74 DOT1L (0.63) DOT1LAHCYPRKACARXFP1
SCHEMBL5944111 0.74 DOT1L (0.47) DOT1LAHCYPRKACATSHRCYP2C19
SCHEMBL9970168 0.72 DOT1L (0.69) DOT1LAHCYPRKACARXFP1
SCHEMBL9970273 0.72 DOT1L (0.69) DOT1LAHCYPRKACARXFP1
SCHEMBL9970243 0.72 DOT1L (0.76) DOT1LAHCYPRKACARXFP1
SCHEMBL11054727 0.72 DOT1L (0.65) DOT1LAHCYPRKACAADORA3ADORA2A

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
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