SCHEMBL30757407

SCHEMBL30757407

Fc1ccccc1C(F)(F)Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.41
ACHE P22303 1/20 0.38
SLC22A12 Q96S37 2/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HSD11B1 P28845 1/20 0.33
KIF11 P52732 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1600455 1.00 KCNN4 (0.41) KCNN4ACHESLC22A12KCNE1KCNQ1
SCHEMBL4204571 0.82 ALDH1A1 (0.40) CA1CA2CA5ACA9ALDH1A1
SCHEMBL10602905 0.80 KCNN4 (0.42) KCNN4ACHESLC22A12KCNE1KCNQ1
SCHEMBL169053 0.80 SLC22A12 (0.46) KCNN4ACHESLC22A12ALDH1A1HSD11B1
SCHEMBL11215017 0.80 KCNN4 (0.42) KCNN4ACHESLC22A12KCNE1KCNQ1
SCHEMBL29466225 0.80 SLC22A12 (0.46) KCNN4ACHESLC22A12ALDH1A1HSD11B1
SCHEMBL4002333 0.79 HSD11B1 (0.39) KCNN4SLC22A12CES2CES1HSD11B1
SCHEMBL6489440 0.79 KCNN4 (0.42) KCNN4ACHESLC22A12KCNE1KCNQ1
Hydrochloric Acid SCHEMBL28030629 0.78 ALDH1A1 (0.48) KCNN4SLC22A12ALDH1A1HSD11B1KIF11
Bromide SCHEMBL27721879 0.78 SLC22A12 (0.44) KCNN4SLC22A12ALDH1A1HSD11B1KIF11

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-220496319-U 2,4, 5-trifluoro benzyl bromide production system 宁夏华昊生物科技有限公司 2024-02-20 CN disclosed