SCHEMBL31184783

SCHEMBL31184783

COc1ncc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 13/20 0.54
▸ ABL1 P00519 1/20 0.42
▸ CHKA P35790 2/20 0.41
▸ CHKB Q9Y259 1/20 0.41
▸ GRM1 Q13255 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TYK2 P29597 1/20 0.39

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
SCHEMBL31184673 0.92 MALT1 (0.43) MALT1ABL1CHKACHKBKDM4E
SCHEMBL31184902 0.85 MALT1 (0.54) MALT1TSHR
SCHEMBL31184691 0.84 JAK2 (0.45) ABL1CHKAKDM4EMEN1TP53
SCHEMBL31184763 0.84 EPHX2 (0.49) MALT1GRM1MEN1TSHRKMT2A
SCHEMBL31184499 0.83 MALT1 (0.46) MALT1CHKACHKBGRM1MEN1
SCHEMBL31184751 0.83 MTNR1A (0.53) CHKACHKBKDM4EMEN1TP53
SCHEMBL31184994 0.82 GRM1 (0.44) MALT1GRM1MEN1TSHRKMT2A
SCHEMBL31184545 0.82 KDM4E (0.43) MALT1ABL1CHKACHKBKDM4E
SCHEMBL31184972 0.81 POLB (0.44) MALT1CHKACHKBTSHRKMT2A
SCHEMBL31184475 0.81 POLB (0.49) MALT1CHKACHKBMEN1TP53

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-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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