SCHEMBL436100

SCHEMBL436100

Fc1ccc(-c2[c]cccc2F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.36
ALDH1A1 P00352 2/20 0.34
NR1I2 O75469 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
DHFR P00374 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
HMGB1 P09429 1/20 0.33
HPGD P15428 1/20 0.33
CXCL12 P48061 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL2050049 0.84 MAPK14 (0.34) NFE2L2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL16720359 0.84 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL434297 0.84 HSD11B1 (0.36) ALDH1A1KMT2ALMNAMAPK14
SCHEMBL17514767 0.84 HSD11B1 (0.39) NFE2L2MEN1KMT2ALMNAHPGD
SCHEMBL433087 0.81 EGLN2 (0.37) GPR3KMO
SCHEMBL2053791 0.81 HSD11B1 (0.35) IDO1
SCHEMBL4907954 0.81 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL434023 0.79 NOTUM (0.35) NFE2L2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL436195 0.77 GPR3 (0.36) NFE2L2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17514462 0.76 NFE2L2 (0.31) NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed