SCHEMBL28065752

SCHEMBL28065752

N#COc1cc2ccccc2cc1OC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.39
NQO1 P15559 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CYP1A2 P05177 2/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
ALOX12 P18054 1/20 0.33
NQO2 P16083 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
TLR8 Q9NR97 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
GAA P10253 1/20 0.32
RCE1 Q9Y256 1/20 0.32
CYP3A4 P08684 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
SCHEMBL20555926 0.79 NQO1 (0.39) CYP2A6NQO1CA1CA2ALDH1A1
SCHEMBL30159634 0.78 CA1 (0.38) CYP2A6CA1CA2ALDH1A1GAA
SCHEMBL159732 0.78 CA1 (0.38) CYP2A6CA1CA2ALDH1A1GAA
SCHEMBL1325698 0.78 GPR84 (0.36) CYP2A6NQO1CA1CA2ALDH1A1
SCHEMBL184763 0.78 CA1 (0.36) CYP2A6NQO1CA1CA2ALDH1A1
SCHEMBL29364866 0.78 CA1 (0.36) CYP2A6NQO1CA1CA2ALDH1A1
SCHEMBL30003929 0.76 CYP2A6 (0.52) CYP2A6CA1CA2ALDH1A1KDM4E
SCHEMBL8452517 0.76 CYP2A6 (0.52) CYP2A6CA1CA2ALDH1A1KDM4E
SCHEMBL30337147 0.76 MAPT (0.57) CYP2A6NQO1CA1CA2ALDH1A1
SCHEMBL7724729 0.76 MAPT (0.57) CYP2A6NQO1CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117355545-B Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2024-10-18 CN disclosed
CN-118043384-A Prepreg, laminate and printed circuit board 三菱瓦斯化学株式会社 2024-05-14 CN disclosed
CN-117500851-A Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2024-02-02 CN disclosed
CN-117500850-A Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2024-02-02 CN disclosed
CN-117355545-A Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2024-01-05 CN disclosed
CN-117222682-A Cured resin composition and cured product thereof 日本化药株式会社 2023-12-12 CN disclosed
CN-105683154-A Cyanate ester compound, curable resin composition containing the same, and cured product thereof 三菱瓦斯化学株式会社 2016-06-15 CN disclosed