SCHEMBL27718958

SCHEMBL27718958

CCC(=O)CC.[N-]=[N+]=Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.55
▸ SCN1A P35498 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ RIPK1 Q13546 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ SMO Q99835 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ F2R P25116 1/20 0.37
▸ CES2 O00748 1/20 0.37

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
Acetic Acid SCHEMBL29006939 0.84 PTGS2 (0.49) PTGS2SCN1ASCN2ASCN3ATP53
Propane SCHEMBL23922782 0.84 PTGS2 (0.56) PTGS2SCN1ASCN2ASCN3ATP53
SCHEMBL23462120 0.83 PTGS2 (0.57) PTGS2SCN1ASCN2ASCN3ATP53
Benzene SCHEMBL28456073 0.79 PTGS2 (0.48) PTGS2TP53CYP2D6CYP2C19ALDH1A1
SCHEMBL13475909 0.79 — —
Propionaldehyde SCHEMBL27718959 0.79 PTGS2 (0.53) PTGS2SCN1ASCN2ASCN3ATP53
Azobenzene SCHEMBL27879723 0.78 ALDH1A1 (0.55) HSD11B1CYP2D6ALDH1A1CES2CES1
Acetophenone SCHEMBL29127417 0.78 PTGS2 (0.51) PTGS2SCN1ASCN2ASCN3ATP53
Formaldehyde SCHEMBL27489743 0.78 CA1 (0.47) PTGS2TP53CYP2D6CYP2C19ALDH1A1
SCHEMBL17289458 0.77 PTGS2 (0.47) PTGS2TP53CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103842066-B Polymerizable inorganic particle dispersant, inorganic-organic composite particle containing the same, and inorganic-organic resin composite material 日本化成株式会社 2016-08-24 — — CN disclosed
CN-104817801-A INORGANIC-ORGANIC HYBRID MATERIAL, OPTICAL MATERIAL USING SAME, AND INORGANIC-ORGANIC COMPOSITE COMPOSITION NIPPON KASEI CHEM 2015-08-05 — — CN disclosed
CN-102985483-B Inorganic-organic hybrid material, optical material using same, and inorganic-organic composite composition NIPPON KASEI CHEM 2015-06-10 — — CN disclosed
CN-103842066-A Polymerizable inorganic particle dispersant, inorganic-organic composite particle containing the same, and inorganic-organic resin composite material NIPPON KASEI CHEM 2014-06-04 — — CN disclosed
CN-102985483-A Inorganic-organic hybrid material, optical material using same, and inorganic-organic composite composition NIPPON KASEI CHEM 2013-03-20 — — CN disclosed
CN-101322074-B Silicon-containing resist underlying layer film forming composition for formation of photocrosslinking cured resist underlying layer film NISSAN CHEMICAL IND LTD 2013-01-23 — — CN disclosed
CN-101322074-A Silicon-containing resist underlying layer film forming composition for formation of photocrosslinking cured resist underlying layer film NISSAN CHEMICAL IND LTD (JP) 2008-12-10 — — CN disclosed
CN-101142527-A Photosensitive composition containing organic fine particles NAT UNIVERSITY CORP THE UNIVER (JP) 2008-03-12 — — CN disclosed
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