SCHEMBL27396018

SCHEMBL27396018

CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)n(CC)cc(-c2ccc(Cl)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 3/20 0.47
GABRB2 P47870 3/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PRKCZ Q05513 1/20 0.45
TEAD2 Q15562 1/20 0.42
ALOX5 P09917 5/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGES O14684 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL30880273 1.00 GABRA2 (0.47) GABRA2GABRB2ALDH1A1KDM4EHPGD
SCHEMBL30880271 1.00 GABRA2 (0.47) GABRA2GABRB2ALDH1A1KDM4EHPGD
SCHEMBL27396186 0.89 TEAD2 (0.41) GABRA2GABRB2ALDH1A1KDM4EHPGD
SCHEMBL27396035 0.87 GFER (0.46) GABRA2GABRB2ALDH1A1KDM4EMEN1
SCHEMBL27395990 0.87 ALOX5 (0.45) GABRA2GABRB2ALDH1A1KDM4EHPGD
SCHEMBL27395999 0.85 ALOX5 (0.43) GABRA2GABRB2ALDH1A1KDM4EHPGD
SCHEMBL27395959 0.79 ALOX5 (0.46) GABRA2GABRB2ALDH1A1KDM4EHPGD
SCHEMBL24501092 0.77 GABRA2 (0.47) GABRA2GABRB2ALDH1A1KDM4EHPGD
SCHEMBL29830601 0.77 GABRA2 (0.47) GABRA2GABRB2ALDH1A1KDM4EHPGD
SCHEMBL10463560 0.77 ALDH1A1 (0.54) GABRA2GABRB2ALDH1A1KDM4EHPGD

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-2024115438-A1 HERBICIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-06 WO disclosed