SCHEMBL25049364

SCHEMBL25049364

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCNCCc2ccc3ccccc3c2)[C@@H](O)[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 1/20 0.66
▸ AHCY P23526 2/20 0.65
▸ HSP90B1 P14625 1/20 0.65
▸ PRKACA P17612 3/20 0.63
▸ ROCK2 O75116 1/20 0.63
▸ ADORA3 P0DMS8 3/20 0.63
▸ ADORA2A P29274 2/20 0.63
▸ ADORA2B P29275 2/20 0.63
▸ ADORA1 P30542 1/20 0.63

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
SCHEMBL31617983 1.00 FTO (0.66) FTOAHCYHSP90B1PRKACAROCK2
SCHEMBL25046799 0.91 AHCY (0.75) FTOAHCYHSP90B1PRKACAROCK2
SCHEMBL31618029 0.91 AHCY (0.75) FTOAHCYHSP90B1PRKACAROCK2
SCHEMBL31617991 0.89 AHCY (0.65) FTOAHCYHSP90B1PRKACAROCK2
SCHEMBL25046798 0.89 AHCY (0.65) FTOAHCYHSP90B1PRKACAROCK2
SCHEMBL25046801 0.88 AHCY (0.65) FTOAHCYHSP90B1PRKACAROCK2
SCHEMBL31618012 0.88 AHCY (0.65) FTOAHCYHSP90B1PRKACAROCK2
SCHEMBL25046610 0.82 PRKACA (0.77) FTOAHCYHSP90B1PRKACAROCK2
SCHEMBL30941201 0.82 PRKACA (0.77) FTOAHCYHSP90B1PRKACAROCK2
SCHEMBL25047823 0.80 AHCY (0.77) FTOAHCYHSP90B1PRKACAROCK2

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
Send feedback