SCHEMBL13754336

SCHEMBL13754336

CC(=O)c1cccc(N2C(=O)CC(C(C)(I)I)C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.54
MT-CO2 P00403 2/20 0.54
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.46
ADAM17 P78536 1/20 0.44
PKM P14618 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL19604773 0.81 ALOX5 (0.50) ALOX5MT-CO2LMNAALDH1A1PKM
SCHEMBL12964166 0.80 LMNA (0.55) ALOX5MT-CO2LMNATSHRALDH1A1
SCHEMBL20796167 0.79 ADAM17 (0.70) LMNATSHRALDH1A1ADAM17PKM
SCHEMBL12659412 0.79 ALOX5 (0.52) ALOX5MT-CO2LMNAALDH1A1PKM
SCHEMBL12252783 0.77 LMNA (0.52) LMNATSHRALDH1A1ADAM17PKM
SCHEMBL25497714 0.76 MT-CO2 (0.49) ALOX5MT-CO2LMNAALDH1A1PKM
SCHEMBL20796475 0.75 MT-CO2 (0.48) ALOX5MT-CO2TSHRALDH1A1PKM
SCHEMBL14866141 0.75 ALDH1A1 (0.56) ALOX5MT-CO2LMNATSHRALDH1A1
SCHEMBL10082605 0.73 ALDH1A1 (0.60) ALOX5LMNATSHRALDH1A1TDP1
SCHEMBL12672408 0.69 ALOX5 (0.48) ALOX5MT-CO2LMNAALDH1A1PKM

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
WO-2009098147-A2 CONJUGATED MOLECULES COMPRISING A PEPTIDE DERIVED FROM THE CD4 RECEPTOR COUPLED TO A POLYANION FOR THE TREATMENT OF AIDS INSTITUT PASTEUR (FR) 2009-08-13 WO disclosed