SCHEMBL31053609

SCHEMBL31053609

FC(F)(F)C1CCN(c2ccc(NBr)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MGLL Q99685 1/20 0.35
NPY2R P49146 2/20 0.35
NAMPT P43490 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NOTUM Q6P988 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
MCL1 Q07820 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ME3 Q16798 1/20 0.33

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
SCHEMBL25042072 0.85 HRH3 (0.47) MAPTKDM4EL3MBTL3L3MBTL1CYP3A4
SCHEMBL31053585 0.83 MAPT (0.42) MAPTKDM4EL3MBTL3L3MBTL1CYP3A4
SCHEMBL25042402 0.81 L3MBTL3 (0.40) MAPTL3MBTL3L3MBTL1CYP3A4SMN1; SMN2
SCHEMBL25039440 0.81 SMN1; SMN2 (0.40) MAPTKDM4EL3MBTL3L3MBTL1CYP3A4
SCHEMBL25041356 0.80 MAPT (0.40) MAPTKDM4EL3MBTL3L3MBTL1CYP3A4
SCHEMBL25041476 0.80 SMN1; SMN2 (0.43) MAPTKDM4EL3MBTL1SMN1; SMN2MGLL
SCHEMBL25041477 0.78 SMN1; SMN2 (0.42) MAPTKDM4EL3MBTL1SMN1; SMN2MGLL
SCHEMBL15189523 0.77 ADRB1 (0.48) MAPTL3MBTL3L3MBTL1CYP3A4MGLL
SCHEMBL30885146 0.77 L3MBTL3 (0.40) MAPTKDM4EL3MBTL3L3MBTL1CYP3A4
SCHEMBL10035931 0.77 MAPT (0.53) MAPTKDM4EL3MBTL3L3MBTL1CYP3A4

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
CN-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 CN disclosed