SCHEMBL28912972

SCHEMBL28912972

CCOC(=O)c1cnn(Cc2cccc(OC(F)C(O)C(F)F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.40
KLKB1 P03952 8/20 0.40
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
ALKBH1 Q13686 1/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 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
SCHEMBL28912952 0.89 GRM2 (0.45) GRM2SMN1; SMN2ALDH1A1KLKB1L3MBTL1
SCHEMBL28912961 0.83 GRM2 (0.45) GRM2KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL4771423 0.83 MEN1 (0.62) GRM2KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL28597496 0.82 KLKB1 (0.45) GRM2KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL30094009 0.82 KLKB1 (0.45) GRM2KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL28604358 0.81 KMT2A (0.48) GRM2KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL30119596 0.81 KMT2A (0.48) GRM2KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL28912949 0.81 TBXAS1 (0.37) GRM2ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL4767882 0.80 GRM2 (0.56) GRM2KMT2ASMN1; SMN2HPGDKLKB1
SCHEMBL28587535 0.79 SMN1; SMN2 (0.50) GRM2KMT2AMEN1SMN1; SMN2HPGD

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-115460921-A Fungicidal halomethyl ketones and hydrates and mixtures thereof FMC公司 2022-12-09 CN disclosed