SCHEMBL28455249

SCHEMBL28455249

CCNC(=O)Oc1cccc(Cl)c1CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28451038 0.77 KDM4E (0.54) GAAPOLBKDM4EMEN1MAPT
SCHEMBL28891879 0.72 MAPT (0.55) GAAPOLBKDM4EMEN1MAPT
SCHEMBL9952093 0.72 KDM4E (0.51) GAAPOLBKDM4EMEN1MAPT
SCHEMBL6680 0.71 POLB (0.42) GAAPOLBKDM4EMEN1MAPT
SCHEMBL25275004 0.71 L3MBTL1 (0.58) GAAPOLBKDM4EMEN1MAPT
SCHEMBL28023340 0.71 GAA (0.58) GAAPOLBKDM4EMEN1MAPT
SCHEMBL25278077 0.71 MAPT (0.58) GAAPOLBKDM4EMEN1MAPT
SCHEMBL11585789 0.71 MEN1 (0.50) MEN1KMT2ABCHELMNAHTT
SCHEMBL5446365 0.71 HPGD (0.46) POLBKDM4EMAPTKMT2ALMNA
SCHEMBL5702222 0.71 KMT2A (0.54) GAAPOLBKDM4EMEN1MAPT

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-111484438-B Polysubstituted indole derivative and metal catalysis preparation method thereof 湖北科技学院 2023-02-03 CN disclosed
CN-111484438-A Polysubstituted indole derivative and metal catalysis preparation method thereof 湖北科技学院 2020-08-04 CN disclosed