SCHEMBL28403165

SCHEMBL28403165

N#Cc1ccc2c(c1)Nc1ccc(C#N)cc1O2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.41
ABL1 P00519 1/20 0.40
SNCA P37840 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CYP2A6 P11509 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 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
SCHEMBL28398312 0.93 SNCA (0.42) ALOX5SNCACA12CA9CYP2A6
SCHEMBL28404933 0.93 ABL1 (0.43) ALOX5ABL1SNCACA12CA9
SCHEMBL31362085 0.93 SNCA (0.42) ALOX5SNCACA12CA9CYP2A6
SCHEMBL2482795 0.88 ALOX5 (0.59) ALOX5ABL1CA12CA9
SCHEMBL2484405 0.88 ALOX5 (0.59) ALOX5SNCA
SCHEMBL30811535 0.88 ALOX5 (0.59) ALOX5SNCA
SCHEMBL27344614 0.85 KIF11 (0.41) ALOX5ABL1SNCACA12CA9
SCHEMBL27344607 0.85 ACE2 (0.43) ABL1SNCACA12CA9
SCHEMBL21628225 0.83 SNCA (0.37) ALOX5SNCACA12CA9CYP2A6
SCHEMBL27344399 0.83 ALDH1A1 (0.44) ALOX5SNCACA12CA9CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113512033-B Phenoxazine and phenothiazine covalent triazine framework material, and preparation method and application thereof 南京工业大学 2023-06-16 CN claimed
CN-113512033-A Phenoxazine and phenothiazine covalent triazine framework material and preparation method and application thereof 南京工业大学 2021-10-19 CN claimed
CN-113512033-B Phenoxazine and phenothiazine covalent triazine framework material, and preparation method and application thereof 南京工业大学 2023-06-16 CN disclosed
CN-113512033-A Phenoxazine and phenothiazine covalent triazine framework material and preparation method and application thereof 南京工业大学 2021-10-19 CN disclosed
CN-111072585-A Diamine containing phenoxazine and amide structures and polyimide thereof 湖南工业大学 2020-04-28 CN disclosed