SCHEMBL25047727

SCHEMBL25047727

CC(C)(C)OC(=O)NCc1cccc(C2CCC(n3ccc4c(Cl)ncnc43)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.41
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ GLS O94925 3/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ ACACA Q13085 1/20 0.36
▸ NNMT P40261 3/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ PIP4K2A P48426 1/20 0.35
▸ RET P07949 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34
▸ CCKBR P32239 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.34
▸ GFER P55789 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
SCHEMBL25048961 0.81 DRD2 (0.40) PRMT5WDR77NNMTPIP4K2A
SCHEMBL30941032 0.79 PRMT5 (0.40) BRD4PRMT5WDR77GLSROCK2
SCHEMBL25047425 0.77 PIP4K2A (0.39) PRMT5WDR77NNMTPIP4K2A
SCHEMBL30531024 0.77 BRD4 (0.48) BRD4GLSROCK2L3MBTL1CREBBP
SCHEMBL3509882 0.77 BRD4 (0.48) BRD4GLSROCK2L3MBTL1CREBBP
SCHEMBL25048447 0.76 PIP4K2A (0.37) PRMT5WDR77NNMTPIP4K2A
SCHEMBL25047597 0.75 PIP4K2A (0.37) PRMT5WDR77NNMTPIP4K2A
SCHEMBL30941316 0.74 PRMT5 (0.38) BRD4PRMT5WDR77NNMT
SCHEMBL30974881 0.73 GPR119 (0.38) PRMT5WDR77ACACBNNMTKMT2A
SCHEMBL29247169 0.73 GPR119 (0.38) PRMT5WDR77ACACBNNMTKMT2A

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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