SCHEMBL25049137

SCHEMBL25049137

CC[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)C[C@@H]1OC(C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 14/20 0.36
▸ PRMT5 O14744 5/20 0.36
▸ WDR77 Q9BQA1 4/20 0.36
▸ PIP4K2A P48426 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
SCHEMBL25048850 0.83 NNMT (0.36) NNMT
SCHEMBL24067669 0.82 PRMT5 (0.34) NNMTPRMT5WDR77PIP4K2A
SCHEMBL16943626 0.80 UBA6 (0.42) NNMTPRMT5WDR77PIP4K2A
SCHEMBL16932515 0.78 PRMT5 (0.34) NNMTPRMT5WDR77PIP4K2A
SCHEMBL25047772 0.77 PRMT5 (0.31) PRMT5WDR77PIP4K2A
SCHEMBL19344195 0.76 PRMT5 (0.37) NNMTPRMT5WDR77
SCHEMBL20049423 0.76 PRMT5 (0.37) NNMTPRMT5WDR77
SCHEMBL24090740 0.76 PRMT5 (0.40) NNMTPRMT5WDR77
SCHEMBL16769947 0.75 PRMT5 (0.44) NNMTPRMT5WDR77PIP4K2A
SCHEMBL18572623 0.75 PRMT5 (0.46) PRMT5WDR77

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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