SCHEMBL9017628

SCHEMBL9017628

CCc1cc(Cl)c(Cl)c(C(N)=O)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
RIPK2 O43353 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 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
SCHEMBL9017621 0.88 IKBKB (0.39) POLBHTTLMNARIPK2
SCHEMBL9017601 0.86 POLB (0.42) POLBHTTALDH1A1GAAHPGD
SCHEMBL9017622 0.79 POLB (0.35) POLBHTTLMNARIPK2KDM4E
SCHEMBL8932346 0.78 SLC6A2 (0.36) POLBRIPK2KDM4EALDH1A1CDC7
SCHEMBL9017596 0.75 IKBKB (0.40) POLBALDH1A1GAAHPGDNPSR1
SCHEMBL9017615 0.73 SIRT1 (0.35) POLBHTTLMNARIPK2ALDH1A1
SCHEMBL31145307 0.72 L3MBTL1 (0.38) POLBHTTLMNAKDM4EALDH1A1
SCHEMBL17350918 0.72 L3MBTL1 (0.38) POLBHTTLMNAKDM4EALDH1A1
SCHEMBL27989434 0.72 CLCN2 (0.41) POLBHTTLMNAKDM4EALDH1A1
SCHEMBL8732701 0.70 PRKCI (0.39) RIPK2KDM4EALDH1A1CDC7PLK4

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
EP-0749416-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1996-12-27 EP disclosed
WO-1995024380-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1995-09-14 WO disclosed