SCHEMBL25048783

SCHEMBL25048783

CCc1cn(C2CCC(CO)O2)c2ncnc(NC)c12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALB P02768 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.35
▸ YTHDC1 Q96MU7 1/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ RIN1 Q13671 2/20 0.35
▸ AHCY P23526 1/20 0.34

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
SCHEMBL25047891 0.89 ADK (0.38) ADKADORA3YTHDC1
SCHEMBL25047400 0.88 ADK (0.47) ADKALDH1A1LMNAALBMAPK1
SCHEMBL26057924 0.82 ADK (0.42) ADKALDH1A1LMNAALBMAPK1
SCHEMBL23641765 0.80 ADK (0.47) ADKADORA3AHCY
SCHEMBL29318369 0.77 YTHDC1 (0.59) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL2041441 0.77 YTHDC1 (0.59) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL22524104 0.76 PRMT5 (0.48) ADKALDH1A1LMNAALBMAPK1
SCHEMBL25048779 0.76 ADK (0.75) ADKALDH1A1MAPK1
SCHEMBL25076431 0.76 ALDH1A1 (0.39) ADKALDH1A1LMNAALBMAPK1
SCHEMBL25948511 0.76 ALDH1A1 (0.39) ADKALDH1A1LMNAALBMAPK1

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
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