SCHEMBL25047835

SCHEMBL25047835

C=C/C=C\C(=C\C(=C/C)C1CCC(n2ccc3c(Cl)ncnc32)C1)C(=C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 1/20 0.32
▸ NNMT P40261 4/20 0.31

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
SCHEMBL25047869 0.90 PRMT5 (0.34) —
SCHEMBL25046609 0.89 PIP4K2A (0.35) PIP4K2ANNMT
SCHEMBL25047775 0.79 PIP4K2A (0.35) PIP4K2ANNMT
SCHEMBL21129819 0.79 PIP4K2A (0.40) PIP4K2ANNMT
SCHEMBL21129938 0.75 PIP4K2A (0.38) PIP4K2ANNMT
SCHEMBL25047427 0.75 PIP4K2A (0.38) PIP4K2ANNMT
SCHEMBL25047477 0.75 PIP4K2A (0.39) PIP4K2ANNMT
SCHEMBL21130182 0.74 PIP4K2A (0.40) PIP4K2ANNMT
SCHEMBL21130022 0.71 SLC22A12 (0.40) PIP4K2ANNMT
SCHEMBL25048645 0.70 ADK (0.42) —

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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