SCHEMBL9404050

SCHEMBL9404050

NSc1ccc(SC(F)(F)F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNH2 Q12809 1/20 0.33
PTPRZ1 P23471 2/20 0.32
PTPN1 P18031 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
KIF11 P52732 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
SCHEMBL9870707 0.85 KDM4E (0.41) PDE2AKDM4EALDH1A1TDP1KCNH2
SCHEMBL9404035 0.76 ALDH1A1 (0.48) PDE2AKDM4EALDH1A1TDP1KCNH2
SCHEMBL31256398 0.76 ALDH1A1 (0.48) PDE2AKDM4EALDH1A1TDP1KCNH2
SCHEMBL10525468 0.75 PDE2A (0.46) PDE2AKDM4EALDH1A1TDP1
SCHEMBL900648 0.72 PDE2A (0.44) PDE2AKDM4EALDH1A1TDP1HTR2A
SCHEMBL18247943 0.72 PDE2A (0.44) PDE2AKDM4EALDH1A1TDP1HTR2A
SCHEMBL900649 0.72 PDE2A (0.47) PDE2AHTR2AHTR2CHTR2BLMNA
SCHEMBL18247898 0.69 ALDH1A1 (0.49) PDE2AALDH1A1TDP1LMNAMAPT
SCHEMBL3627129 0.68 ALDH1A1 (0.54) PDE2AKDM4EALDH1A1TDP1KCNH2
SCHEMBL900701 0.68 PDE2A (0.41) PDE2APTPRZ1PTPN1HTR2AHTR2C

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-0315862-B1 Aromatically fluorinated fluoromethoxy- and fluoromethylthio-amino benzenes and their preparation BAYER AG (DE) 1994-04-13 EP claimed