SCHEMBL9017622

SCHEMBL9017622

CCc1c(N)cc(Cl)c(Cl)c1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
MAP4K1 Q92918 1/20 0.33
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
CD44 P16070 1/20 0.31
RIPK2 O43353 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
SLC9A1 P19634 1/20 0.30
CYP3A4 P08684 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CDC7 O00311 1/20 0.30
PLK4 O00444 1/20 0.30
DYRK3 O43781 1/20 0.30
JAK2 O60674 1/20 0.30
ROCK2 O75116 1/20 0.30
PRKD3 O94806 1/20 0.30

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
SCHEMBL9017615 0.87 SIRT1 (0.35) POLBLMNAHTTSIRT1GAA
SCHEMBL9017628 0.79 POLB (0.37) POLBLMNAHTTGAARIPK2
SCHEMBL8932344 0.77 CCNC (0.35) SIRT1GAARIPK2KDM4EALDH1A1
SCHEMBL4593069 0.77 LMNA (0.38) POLBLMNAHTTSIRT1GAA
SCHEMBL604293 0.75 GAA (0.42) POLBLMNAHTTSIRT1GAA
SCHEMBL9017621 0.71 IKBKB (0.39) POLBLMNAHTTRIPK2
SCHEMBL21519775 0.70 MRGPRX4 (0.36) POLBLMNAHTTSIRT1SMN1; SMN2
SCHEMBL9017601 0.69 POLB (0.42) POLBHTTGAACYP1A2CYP3A4
SCHEMBL2852286 0.68 TSHR (0.37) POLBLMNASIRT1GAACYP1A2
SCHEMBL8932346 0.68 SLC6A2 (0.36) POLBRIPK2KDM4EALDH1A1CDC7

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