SCHEMBL9843822

SCHEMBL9843822

CCS(=O)(=O)Nc1cc(N2C(=O)CC(C(F)(F)F)CC2=O)c(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.35
PPOX P50336 3/20 0.32
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
BRD4 O60885 2/20 0.31
AR P10275 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
SCN9A Q15858 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
SCHEMBL9437086 0.84 PSIP1 (0.32) PSIP1BRD4AR
SCHEMBL9843857 0.79 PPOX (0.41) PPOXARALDH1A1
SCHEMBL8878503 0.75 PPOX (0.32) PPOX
SCHEMBL8879045 0.74 PPOX (0.35) PPOXALDH1A1
SCHEMBL8878819 0.73 TSHR (0.36) PPOXALDH1A1
SCHEMBL8878887 0.72 PPOX (0.34) PPOX
SCHEMBL8879502 0.72 ALDH1A1 (0.44) PPOXARALDH1A1MAPK1
SCHEMBL8876677 0.72 EPHX2 (0.36) PPOXKMT2AKDM4EMEN1ALDH1A1
SCHEMBL8879992 0.72 HPGD (0.33) PPOXKDM4E
SCHEMBL8877805 0.71 PPOX (0.38) PPOXSCN9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454444-A1 Glutarimide derivatives and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-10-30 EP disclosed