SCHEMBL8071747

SCHEMBL8071747

C[C@@H](NC(=O)OC(C)(C)C)c1nc2c(Cl)cccc2s1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PSMB8 P28062 1/20 0.39
PDE10A Q9Y233 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
TRPA1 O75762 1/20 0.38
ACP1 P24666 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
SCHEMBL8071817 0.77 GAA (0.39) GAALMNAKMT2AMEN1ALDH1A1
SCHEMBL8076472 0.75 LIPG (0.47) LIPG
SCHEMBL21445289 0.74 TP53 (0.42) LCKLMNAKMT2AMEN1ALDH1A1
SCHEMBL2609447 0.72 LMNA (0.56) GAALMNAKMT2AMEN1ALDH1A1
SCHEMBL10147646 0.72 MAPT (0.39) LCKLMNAMAPTHPGDMAPK1
SCHEMBL8060765 0.72 HDAC3 (0.46) ALDH1A1HPGD
SCHEMBL1694884 0.72 MAPT (0.39) LCKLMNAMAPTHPGDMAPK1
SCHEMBL15067163 0.71 GAA (0.45) LCKGAALMNAKMT2AMEN1
SCHEMBL11901607 0.70 NR1H2 (0.43) LMNAKMT2AMAPTTRPA1
SCHEMBL16630523 0.70 PIK3CD (0.40) ALDH1A1MAPTHPGDLIPGTRPA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775696-B1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-07-19 EP disclosed
US-5789428-A Amino-acid amide derivatives, processes for preparing the same, agricultural or horticultural fungicides, and method for killing fungi KUMIAI CHEMICAL INDUSTRY CO. LTD. (JP) 1998-08-04 US disclosed
EP-0775696-A1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KumaiI Chemical Industry Co., Ltd. (JP) 1997-05-28 EP disclosed