SCHEMBL28579201

SCHEMBL28579201

O=Cc1cc(I)ccc1NC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
GRIK1 P39086 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC1 Q13547 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC2 Q92769 2/20 0.46
MDM4 O15151 1/20 0.46
TP53 P04637 1/20 0.46
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
ERN1 O75460 1/20 0.46
SNCA P37840 2/20 0.46
SERPINE1 P05121 1/20 0.46

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
SCHEMBL14428398 0.88 MEN1 (0.53) MAPTMEN1PKMGRIK1KMT2A
SCHEMBL28578326 0.83 KCNMA1 (0.61) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL4081845 0.82 SNCA (0.59) MAPTMEN1PKMGRIK1KMT2A
SCHEMBL30758797 0.82 SNCA (0.59) MAPTMEN1PKMGRIK1KMT2A
SCHEMBL30799070 0.79 HDAC1 (0.55) MAPTMEN1PKMGRIK1KMT2A
SCHEMBL27383786 0.79 HDAC1 (0.55) MAPTMEN1PKMGRIK1KMT2A
SCHEMBL28323100 0.78 MEN1 (0.46) MAPTMEN1PKMGRIK1KMT2A
SCHEMBL30798823 0.78 MAPT (0.69) MAPTMEN1PKMGRIK1KMT2A
SCHEMBL14075414 0.78 MEN1 (0.70) MAPTMEN1PKMGRIK1KMT2A
SCHEMBL22302602 0.78 ERN1 (0.49) MAPTMEN1KMT2ATDP1CYP1A2

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-110218137-B Synthetic method of anthranilic aldehyde compound 上海交通大学 2021-01-22 CN disclosed