SCHEMBL28439723

SCHEMBL28439723

CC(C)(C)OOC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
LMNA P02545 4/20 0.32
SLC6A2 P23975 4/20 0.32
SLC6A3 Q01959 4/20 0.32
HRH3 Q9Y5N1 2/20 0.32
NPC1 O15118 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
MTOR P42345 2/20 0.32
RAB9A P51151 2/20 0.32
CYP3A4 P08684 2/20 0.32
HTR2C P28335 2/20 0.32
KCNK2 O95069 2/20 0.32
KCNH2 Q12809 2/20 0.32
CACNA1C Q13936 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL28443565 1.00 SLC6A4 (0.32) SLC6A4MEN1KMT2ALMNASLC6A2
SCHEMBL28452242 1.00 SLC6A4 (0.32) SLC6A4MEN1KMT2ALMNASLC6A2
SCHEMBL28439078 1.00 SLC6A4 (0.32) SLC6A4MEN1KMT2ALMNASLC6A2
SCHEMBL28448354 1.00 SLC6A4 (0.32) SLC6A4MEN1KMT2ALMNASLC6A2
SCHEMBL28448979 1.00 SLC6A4 (0.32) SLC6A4MEN1KMT2ALMNASLC6A2
SCHEMBL28441514 0.99 SLC6A4 (0.32) SLC6A4MEN1KMT2ALMNASLC6A2
SCHEMBL28452010 0.86
SCHEMBL28320895 0.86
SCHEMBL28321941 0.86 AOC3 (0.34)
SCHEMBL28441002 0.84 AOC3 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110357842-B Fluoroalkyl substituted furan compound and preparation method thereof 南京工业大学 2022-12-16 CN claimed
CN-111574564-A Fluoroalkyl-substituted furyl diphosphine oxygen compound and preparation method thereof 南京工业大学 2020-08-25 CN claimed
CN-111560038-A Fluoroalkyl-substituted furyl monophosphine oxide compound and preparation method thereof 南京工业大学 2020-08-21 CN claimed
CN-110357842-B Fluoroalkyl substituted furan compound and preparation method thereof 南京工业大学 2022-12-16 CN disclosed
CN-111574564-A Fluoroalkyl-substituted furyl diphosphine oxygen compound and preparation method thereof 南京工业大学 2020-08-25 CN disclosed
CN-111560038-A Fluoroalkyl-substituted furyl monophosphine oxide compound and preparation method thereof 南京工业大学 2020-08-21 CN disclosed