SCHEMBL9017624

SCHEMBL9017624

NC(=O)c1c(Cl)ccc(N)c1C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
RET P07949 1/20 0.33
MAP3K14 Q99558 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
RIPK2 O43353 1/20 0.32
HSD11B1 P28845 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 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
SCHEMBL9017630 0.77 CEL (0.39) TAS1R3TAS1R1TAS1R2HSD11B1KMT2A
SCHEMBL2656264 0.75 HTR2C (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL30739636 0.71 DPP4 (0.39) CA1CA2CA7RIPK2KMT2A
SCHEMBL13835895 0.70 KDM4E (0.41) RETKMT2AKDM4EMEN1MAPT
SCHEMBL247757 0.70 TDO2 (0.38) KDM4EMAPTHDAC1HDAC2
SCHEMBL3692132 0.70 TDO2 (0.38) KDM4EMAPTHDAC1HDAC2
SCHEMBL4482096 0.70 TDO2 (0.38) KDM4EMAPTHDAC1HDAC2
SCHEMBL28020430 0.70 PARP1 (0.40) KMT2AKDM4EMEN1MAPTHDAC1
SCHEMBL206180 0.70 DPP4 (0.47) CA1CA2CA7RIPK2KMT2A
SCHEMBL10862608 0.69 KDM4E (0.40) RETKMT2AKDM4EMEN1MAPT

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