SCHEMBL26464281

SCHEMBL26464281

FC(F)(F)Oc1ccc(-c2c[nH]c(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.41
SCN5A Q14524 6/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
GRK6 P43250 1/20 0.38
CYP1A2 P05177 1/20 0.37
SCN1A P35498 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN8A Q9UQD0 1/20 0.37

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
SCHEMBL26464150 0.86 ALOX5 (0.50) SCN5AKDM4ENPC1ALDH1A1GAA
SCHEMBL3401143 0.86 CCNT1 (0.43) TRPV1SCN5AKDM4ENPC1ALDH1A1
SCHEMBL26096161 0.83 GRK6 (0.39) TRPV1SCN5AKDM4ENPC1ALDH1A1
SCHEMBL3401595 0.81 AURKA (0.50) KDM4ENPC1ALDH1A1RAB9AGRK6
SCHEMBL26464666 0.81 MCL1 (0.47) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL26465207 0.78 ABL1 (0.51) SCN5AKDM4ENPC1ALDH1A1GAA
SCHEMBL27517986 0.77 ALDH1A1 (0.48) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL7139439 0.77 DGAT1 (0.51) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL7143721 0.77 DGAT1 (0.51) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL17518813 0.76 SCN5A (0.47) SCN5AKDM4ENPC1ALDH1A1GAA

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
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
EP-4173485-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-03 EP disclosed