SCHEMBL25047944

SCHEMBL25047944

COC(=O)C1CCC(n2ccc3c(Cl)ncnc32)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 1/20 0.44
▸ ACACB O00763 1/20 0.40
▸ ADCY5 O95622 3/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37
▸ NNMT P40261 2/20 0.36
▸ PRMT5 O14744 2/20 0.36
▸ WDR77 Q9BQA1 2/20 0.36
▸ CHKA P35790 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC6A2 P23975 5/20 0.35
▸ SLC6A4 P31645 5/20 0.35
▸ SLC6A3 Q01959 5/20 0.35

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
SCHEMBL21130182 0.87 PIP4K2A (0.40) PIP4K2AACACBADCY5SLC22A12NNMT
SCHEMBL19714842 0.86 ADCY5 (0.48) PIP4K2AACACBADCY5PRMT5WDR77
SCHEMBL21130022 0.86 SLC22A12 (0.40) PIP4K2AACACBADCY5SLC22A12NNMT
SCHEMBL21129819 0.82 PIP4K2A (0.40) PIP4K2AACACBADCY5SLC22A12NNMT
SCHEMBL29247166 0.82 GPR119 (0.38) PIP4K2AACACBSLC22A12NNMTPRMT5
SCHEMBL29247169 0.82 GPR119 (0.38) PIP4K2AACACBSLC22A12NNMTPRMT5
SCHEMBL30974881 0.82 GPR119 (0.38) PIP4K2AACACBSLC22A12NNMTPRMT5
SCHEMBL21129938 0.81 PIP4K2A (0.38) PIP4K2AACACBADCY5SLC22A12NNMT
SCHEMBL25047477 0.81 PIP4K2A (0.39) PIP4K2AADCY5NNMTPRMT5WDR77
SCHEMBL29247142 0.79 SLC22A12 (0.39) PIP4K2AACACBSLC22A12NNMTPRMT5

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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