SCHEMBL25049128

SCHEMBL25049128

C/C=C(\C)CCNCCCNC[C@H]1C[C@@H](n2cc(CC)c3cncnc32)[C@H](O)[C@@H]1C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL25049109 0.88 — —
SCHEMBL25049119 0.81 ADCY5 (0.31) —
SCHEMBL25048518 0.78 PRMT5 (0.40) —
SCHEMBL30941156 0.78 PRMT5 (0.40) —
SCHEMBL25048202 0.76 ADK (0.31) —
SCHEMBL25048552 0.76 METTL3 (0.37) —
SCHEMBL25046701 0.73 METTL3 (0.34) —
SCHEMBL25047939 0.72 METTL3 (0.45) —
SCHEMBL25048571 0.72 ADK (0.46) —
SCHEMBL25049101 0.71 ADK (0.41) —

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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