SCHEMBL8317077

SCHEMBL8317077

COC(=O)c1[nH]c2c(C)ccc(C)c2c1C=NO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NR4A2 P43354 1/20 0.34
ALDH1A1 P00352 6/20 0.33
GFER P55789 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 4/20 0.32
GAA P10253 3/20 0.32
CYP2C9 P11712 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8321138 0.89 CYP1A2 (0.35) HPGDHTTKDM4EL3MBTL1CYP1A2
SCHEMBL8322194 0.89 CYP1A2 (0.35) HPGDHTTKDM4EL3MBTL1CYP1A2
SCHEMBL8321139 0.89 CYP1A2 (0.35) HPGDHTTKDM4EL3MBTL1CYP1A2
SCHEMBL8324746 0.85 KDM4E (0.37) HPGDHTTKDM4EL3MBTL1CYP1A2
SCHEMBL8321417 0.84 CYP1A2 (0.38) HTTKDM4EALOX15CYP1A2CYP3A4
SCHEMBL8325590 0.83 MAPT (0.47) HPGDKDM4EL3MBTL1ALOX15CYP1A2
SCHEMBL8325596 0.83 MAPT (0.47) HPGDKDM4EL3MBTL1ALOX15CYP1A2
SCHEMBL8321542 0.80 KDM4E (0.44) HPGDKDM4EL3MBTL1ALOX15CYP1A2
SCHEMBL8321545 0.80 KDM4E (0.44) HPGDKDM4EL3MBTL1ALOX15CYP1A2
SCHEMBL8318554 0.80 KDR (0.33) CYP1A2CYP3A4CYP2C19MEN1KMT2A

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