SCHEMBL28860211

SCHEMBL28860211

O=C(Nc1cc(F)ccc1C(=O)O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
PKM P14618 3/20 0.68
GRIK1 P39086 3/20 0.68
MAPT P10636 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
HDAC1 Q13547 1/20 0.63
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KCNK2 O95069 1/20 0.56
HPGD P15428 1/20 0.55
KDM4D Q6B0I6 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
KCNK3 O14649 2/20 0.54
KCNK9 Q9NPC2 1/20 0.54
DHODH Q02127 1/20 0.54
LTC4S Q16873 1/20 0.54
HDAC2 Q92769 1/20 0.54
ACLY P53396 1/20 0.52
LRRK2 Q5S007 1/20 0.51

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
SCHEMBL2278459 0.88 HDAC2 (0.71) KMT2AMEN1PKMGRIK1MAPT
SCHEMBL2292513 0.87 SERPINE1 (0.62) KMT2AMEN1PKMGRIK1MAPT
SCHEMBL9743979 0.87 MAPT (0.58) KMT2AMEN1PKMGRIK1MAPT
SCHEMBL2271280 0.86 ACLY (0.62) KMT2AMEN1PKMGRIK1MAPT
SCHEMBL2274304 0.85 ACLY (0.55) KMT2AMEN1PKMGRIK1MAPT
SCHEMBL2270444 0.85 MEN1 (0.54) KMT2AMEN1PKMGRIK1MAPT
SCHEMBL2276918 0.84 SNCA (0.66) KMT2AMEN1PKMGRIK1MAPT
SCHEMBL2271080 0.84 MEN1 (0.56) KMT2AMEN1PKMGRIK1MAPT
SCHEMBL2274811 0.84 PYGM (0.57) KMT2AMEN1PKMGRIK1MAPT
SCHEMBL2276923 0.84 SNCA (0.66) KMT2AMEN1PKMGRIK1MAPT

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-108129438-A A kind of compound of the chroman of benzene containing 2- parent nucleus and preparation method thereof 中国海洋大学 2018-06-08 CN disclosed