SCHEMBL21736899

SCHEMBL21736899

CCc1c(Cl)cncc1C#N

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.37
CYP11B2 P19099 9/20 0.35
CYP11B1 P15538 8/20 0.35
KDM5A P29375 4/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CSNK1A1 P48729 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL21736855 0.86 KDM5A (0.39) CYP11B2CYP11B1KDM5AKDM4CKDM4E
SCHEMBL31445155 0.81 CYP11B2 (0.39) PGK1CYP11B2CYP11B1KDM4EALDH1A1
SCHEMBL10079575 0.79 PDE4D (0.35) CYP11B2GAA
SCHEMBL7215529 0.78 KDM5A (0.39) CYP11B2CYP11B1KDM5AKDM4CKDM4E
SCHEMBL21736854 0.78 KDM5A (0.39) CYP11B2CYP11B1KDM5AKDM4CKDM4E
SCHEMBL14822356 0.77 CYP11B2 (0.39) CYP11B2CYP11B1KDM5AKDM4C
SCHEMBL17681684 0.74 PDE4D (0.40) CYP11B2CYP11B1KDM4EALDH1A1HTT
SCHEMBL3825639 0.74 CYP11B2 (0.39) PGK1CYP11B2CYP11B1ALDH1A1CSNK1A1
SCHEMBL1920551 0.73 CYP11B2 (0.40) CYP11B2CYP11B1ALDH1A1CSNK1A1CLK4
SCHEMBL21736851 0.71 PDE4D (0.35) CYP11B2

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-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed