SCHEMBL9017630

SCHEMBL9017630

NC(=O)c1c(Cl)ccc(C2CCCC2)c1N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PBRM1 Q86U86 1/20 0.37
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
TAS1R2 Q8TE23 3/20 0.36
HSD11B1 P28845 2/20 0.35
PTGDR2 Q9Y5Y4 5/20 0.35
PTGDR Q13258 3/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
PTGER2 P43116 1/20 0.34
MDM2 Q00987 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL9017624 0.77 LRRK2 (0.35) MEN1KMT2AKDM4EMAPTTAS1R3
SCHEMBL21181630 0.75 TAS1R3 (0.44) PBRM1TAS1R3TAS1R1TAS1R2
SCHEMBL3787894 0.72 CEL (0.42) CELTAS1R3TAS1R1TAS1R2
SCHEMBL11673685 0.71 SLC6A2 (0.45) CELMEN1KMT2AKDM4EMAPT
SCHEMBL3790320 0.70 CEL (0.43) CELPTGDR2
SCHEMBL15570366 0.70 TAS1R3 (0.47) CELTAS1R3TAS1R1TAS1R2PTGDR2
SCHEMBL1990041 0.70 KDM4E (0.50) MEN1KMT2AKDM4EMAPTPTGDR2
SCHEMBL15570771 0.70 ALDH1A1 (0.57) CELMEN1KMT2ATAS1R3TAS1R1
SCHEMBL28397213 0.70 MEN1 (0.54) CELMEN1KMT2AKDM4EMAPT
SCHEMBL28512634 0.70 CAMKK2 (0.43) MEN1KMT2AKDM4EMAPTPTGDR2

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