SCHEMBL3674130

SCHEMBL3674130

CC(N)(N)c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.42
ACHE P22303 1/20 0.40
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KIF11 P52732 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
NFE2L2 Q16236 1/20 0.33
AOC3 Q16853 1/20 0.32
KDM4E B2RXH2 1/20 0.32
IDO1 P14902 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
SCHEMBL1239429 0.85 KCNN4 (0.42) KCNN4ACHEKCNE1KCNQ1ALDH1A1
SCHEMBL30017695 0.85 KCNN4 (0.42) KCNN4ACHEKCNE1KCNQ1ALDH1A1
Hydrochloric Acid SCHEMBL26916930 0.83 KCNN4 (0.41) KCNN4ACHEKCNE1KCNQ1ALDH1A1
SCHEMBL28186451 0.81 KCNN4 (0.44) KCNN4ACHEKCNE1KCNQ1ALDH1A1
SCHEMBL28879487 0.81 KCNN4 (0.44) KCNN4ACHEKCNE1KCNQ1ALDH1A1
SCHEMBL8716679 0.81 KCNN4 (0.44) KCNN4ACHEKCNE1KCNQ1ALDH1A1
Tert-Butanol SCHEMBL4349692 0.79 KCNN4 (0.43) KCNN4ACHEKCNE1KCNQ1ALDH1A1
SCHEMBL13859151 0.79 KCNN4 (0.39) KCNN4ACHEKCNE1KCNQ1ALDH1A1
SCHEMBL7935323 0.79 ACHE (0.43) KCNN4ACHEKCNE1KCNQ1ALDH1A1
SCHEMBL179259 0.79 ALDH1A1 (0.50) KCNN4ACHEKCNE1KCNQ1ALDH1A1

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-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed