SCHEMBL28022362

SCHEMBL28022362

NC1([N+](=O)[O-])C=CC(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 1/20 0.33
KCNA1 Q09470 1/20 0.33
KCNAB1 Q14722 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
FBP1 P09467 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
SCHEMBL28832722 0.90
SCHEMBL8655837 0.82 ALDH1A1 (0.35) KCNA4KCNA1KCNAB1ALDH1A1TDP1
SCHEMBL27473249 0.79 ALDH1A1 (0.33) KCNA4KCNA1KCNAB1ALDH1A1TDP1
SCHEMBL27523598 0.79 KCNA4 (0.35) KCNA4KCNA1KCNAB1ALDH1A1TDP1
SCHEMBL5983434 0.79 CRHBP (0.33) KCNA4KCNA1KCNAB1ALDH1A1TDP1
SCHEMBL27474534 0.79 KCNA4 (0.32) KCNA4KCNA1KCNAB1ALDH1A1TDP1
SCHEMBL6155292 0.79 KCNA4 (0.38) KCNA4KCNA1KCNAB1ALDH1A1TDP1
SCHEMBL2422559 0.79 ABCC1 (0.32) KCNA4KCNA1KCNAB1ALDH1A1TDP1
SCHEMBL27502569 0.79 KCNA4 (0.32) KCNA4KCNA1KCNAB1ALDH1A1TDP1
SCHEMBL29828470 0.78 KCNA4 (0.31) KCNA4KCNA1KCNAB1ALDH1A1TDP1

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
CN-105838388-B Liquid crystal aligning agent, liquid crystal alignment film, method for producing liquid crystal alignment film, liquid crystal element, polymer, diamine, and acid dianhydride JSR株式会社 2020-12-29 CN disclosed
CN-106479518-B Diamine compound and polyamic acid and preparation method thereof, polyimides, aligning agent for liquid crystal and liquid crystal cell 阜阳欣奕华材料科技有限公司 2018-09-28 CN disclosed
CN-105838388-A Liquid crystal aligning agent, liquid crystal alignment film and manufacturing method therefor, liquid crystal element, polymer, diamine and acid dianhydride JSR株式会社 2016-08-10 CN disclosed
CN-105102449-A Antiviral compounds HOFFMANN LA ROCHE 2015-11-25 CN disclosed