SCHEMBL24865775

SCHEMBL24865775

Cn1c(=O)n(C)c2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)nc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
BCL6 P41182 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.38
PKM P14618 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSC P53634 1/20 0.37
TRIM24 O15164 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL31123194 1.00 MAPT (0.51) MAPTKDM4EBCL6SMN1; SMN2GAA
SCHEMBL30336296 0.87 MAPT (0.44) MAPTBCL6SMN1; SMN2GAAALDH1A1
SCHEMBL24865632 0.87 MAPT (0.44) MAPTBCL6SMN1; SMN2GAAALDH1A1
SCHEMBL31123303 0.86 BCL6 (0.48) MAPTKDM4EBCL6SMN1; SMN2GAA
SCHEMBL24865777 0.86 BCL6 (0.48) MAPTKDM4EBCL6SMN1; SMN2GAA
SCHEMBL24865152 0.85 BCL6 (0.49) MAPTKDM4EBCL6SMN1; SMN2GAA
SCHEMBL31123228 0.85 BCL6 (0.49) MAPTKDM4EBCL6SMN1; SMN2GAA
SCHEMBL24865177 0.85 BCL6 (0.49) MAPTKDM4EBCL6SMN1; SMN2GAA
SCHEMBL30336132 0.85 BCL6 (0.49) MAPTKDM4EBCL6SMN1; SMN2GAA
SCHEMBL24865781 0.84 BCL6 (0.47) MAPTKDM4EBCL6SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed