SCHEMBL30829263

SCHEMBL30829263

Oc1nc2cc(Br)ccc2nc1OC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.34
ABHD6 Q9BV23 4/20 0.34
NT5E P21589 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL30829254 0.84 KDM4E (0.46) KDM4EMEN1TP53MAPTALOX15
SCHEMBL30829264 0.83 MAPT (0.37) PIK3R1PIK3CAKDM4EPIM1PIM2
SCHEMBL30829253 0.83 KDM4E (0.53) KDM4E
SCHEMBL30829256 0.82 CFTR (0.36) KDM4EMEN1TP53MAPTALOX15
SCHEMBL30829261 0.81 MEN1 (0.46) ABHD6KDM4EMEN1TP53MAPT
SCHEMBL30829255 0.80 CETP (0.38) KDM4E
SCHEMBL30829260 0.79 AR (0.33) MEN1TP53MAPTALOX15MAPK1
SCHEMBL29187265 0.78 TRPV1 (0.38) PABPC1NT5EPIK3R1PIK3CAKDM4E
SCHEMBL6109123 0.74 PABPC1 (0.50) PABPC1PIK3R1PIK3CAKDM4EPIM1
SCHEMBL27428014 0.72 NT5E (0.41) PABPC1NT5EPIK3R1PIK3CAKDM4E

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
CN-117702139-A Method for synthesizing electrocatalytic fluoroalkoxy aryl ether compound 西华师范大学 2024-03-15 CN disclosed