SCHEMBL8328486

SCHEMBL8328486

COC(=O)C(C)=NNc1cc(C)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
HPGD P15428 1/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 3/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
TAS1R2 Q8TE23 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.39
CLCN2 P51788 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL3712059 0.81 HPGD (0.45) HPGDMAPTNPC1RAB9AGAA
SCHEMBL3712056 0.81 HPGD (0.45) HPGDMAPTNPC1RAB9AGAA
SCHEMBL832590 0.77 POLB (0.63) MAPTKDM4ENPC1RAB9AGAA
SCHEMBL22620686 0.75 MAPT (0.55) MAPTKDM4ENPC1GAALMNA
SCHEMBL12900900 0.74 HPGD (0.70) PDK1PDK2PDK3PDK4HPGD
SCHEMBL10896720 0.72 ALDH1A1 (0.60) PDK1PDK2PDK3PDK4HPGD
SCHEMBL30707863 0.72 ALDH1A1 (0.60) PDK1PDK2PDK3PDK4HPGD
SCHEMBL7666701 0.72 GAA (0.56) MAPTKDM4EGAALMNATHRB
SCHEMBL7666699 0.72 GAA (0.56) MAPTKDM4EGAALMNATHRB
SCHEMBL14504048 0.72 SIGMAR1 (0.47) HPGDMAPTKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866594-A Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-02-02 US disclosed
EP-0791582-A1 INDOLE-2-CARBOXYLIC ESTER DERIVATIVES AND AGRICULTURAL AND HORTICULTURAL BACTERIOCIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-08-27 EP disclosed