SCHEMBL28917460

SCHEMBL28917460

[c]1ccccc1-c1cncc(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
CHRNA7 P36544 2/20 0.42
ATM Q13315 1/20 0.42
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
CYP2A6 P11509 1/20 0.37
CHRNB2 P17787 3/20 0.37
CHRNA4 P43681 2/20 0.37
CYP19A1 P11511 1/20 0.37
CHRNA3 P32297 3/20 0.36
FDPS P14324 3/20 0.36
CHRNB4 P30926 2/20 0.36
SMO Q99835 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
NOTUM Q6P988 1/20 0.35

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
SCHEMBL15511154 0.88 CYP2A6 (0.50) MKNK1MKNK2CYP11B1CYP11B2CYP2A6
SCHEMBL2449602 0.82 ALDH1A1 (0.41) CYP2A6NOTUM
SCHEMBL26567 0.80 MAOA (0.41) ATM
SCHEMBL589437 0.80 MAOA (0.41) ATM
SCHEMBL722168 0.80 ATM (0.54) ATMCYP11B1CYP11B2CYP2A6CYP19A1
SCHEMBL21295672 0.80 CYP2A6 (0.46) CYP11B1CYP11B2CYP2A6
SCHEMBL722248 0.79 ATM (0.62) MKNK1MKNK2CHRNA7ATMCYP11B1
SCHEMBL21692173 0.79 ATM (0.62) MKNK1MKNK2CHRNA7ATMCYP11B1
SCHEMBL25097 0.78 ALDH1A1 (0.45) CYP2A6NOTUM
SCHEMBL769959 0.78 ALDH1A1 (0.45) CYP2A6NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed