SCHEMBL30941064

SCHEMBL30941064

CC1(C)O[C@@H]2[C@H](O1)[C@@H](c1cccc(-c3cnsc3)c1)C[C@H]2n1ccc2c(Cl)nc(Cl)nc21

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
SCHEMBL25048173 1.00 — —
SCHEMBL25049154 0.90 PRMT5 (0.33) —
SCHEMBL30941334 0.90 PRMT5 (0.33) —
SCHEMBL30941171 0.85 WNT1 (0.31) —
SCHEMBL25046777 0.85 — —
SCHEMBL31618002 0.84 CCNE2 (0.36) —
SCHEMBL30941508 0.84 ADORA3 (0.32) —
SCHEMBL25047762 0.84 — —
SCHEMBL25046763 0.83 HTR2A (0.34) —
SCHEMBL25048276 0.82 NNMT (0.32) —

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-20250188110-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2025-06-12 — — US disclosed
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