SCHEMBL24760477

SCHEMBL24760477

O=C(O)c1cnn(-c2cccc3cnccc23)c1C1CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.57
SLC9A2 Q9UBY0 3/20 0.57
NFE2L2 Q16236 12/20 0.56
KEAP1 Q14145 11/20 0.56
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SPR P35270 1/20 0.42
MALT1 Q9UDY8 1/20 0.41

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
SCHEMBL6312663 0.88 SLC9A1 (0.71) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
SCHEMBL6314722 0.84 SLC9A1 (0.51) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
SCHEMBL30142173 0.84 SLC9A1 (0.51) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
Hydrochloric Acid SCHEMBL6321779 0.84 SLC9A1 (0.79) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
Hydrochloric Acid SCHEMBL6321772 0.83 SLC9A1 (0.57) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
SCHEMBL6312241 0.81 SLC9A1 (0.45) SLC9A1SLC9A2SPRMALT1
SCHEMBL6312945 0.80 NFE2L2 (0.57) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
SCHEMBL6262880 0.79 SLC9A1 (0.74) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
Hydrochloric Acid SCHEMBL7686352 0.78 SLC9A1 (0.74) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
SCHEMBL24760447 0.77 MALT1 (0.66) MALT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120427-A MALT1 inhibitor and preparation method and application thereof 上海拓界生物医药科技有限公司 2023-11-24 CN disclosed
WO-2022262855-A1 MALT1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海拓界生物医药科技有限公司 2022-12-22 WO disclosed
WO-2022262855-A1 MALT1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海拓界生物医药科技有限公司 2022-12-22 WO disclosed