SCHEMBL29655663

SCHEMBL29655663

N#Cc1ccc(-c2ccc(N)c(N)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
MMP3 P08254 1/20 0.50
MAP4K4 O95819 1/20 0.49
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
PGR P06401 1/20 0.46
KIF11 P52732 3/20 0.46
KCNH2 Q12809 1/20 0.44
CYP11B2 P19099 2/20 0.43
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
EGLN2 Q96KS0 2/20 0.42
LIMK1 P53667 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL15156687 1.00 TDP1 (0.61) TDP1MEN1KMT2AMMP3MAP4K4
SCHEMBL21388680 0.82 ALDH1A1 (0.65) TDP1MMP3MAP4K4CA12CA2
SCHEMBL5843660 0.82 ALOX15 (0.65) MEN1KMT2AMMP3MAP4K4CA12
SCHEMBL5952080 0.82 MEN1 (0.54) TDP1MEN1KMT2AMAP4K4PGR
SCHEMBL4047375 0.82 KIF11 (0.59) TDP1MEN1KMT2AMMP3MAP4K4
SCHEMBL15234505 0.82 KIF11 (0.54) TDP1MEN1KMT2AMMP3MAP4K4
SCHEMBL3468432 0.82 KIF11 (0.46) TDP1MMP3MAP4K4CA12CA2
SCHEMBL31757929 0.82 KIF11 (0.46) TDP1MMP3MAP4K4CA12CA2
SCHEMBL352155 0.81 ALDH1A1 (0.50) TDP1MEN1KMT2ACA12CA2
SCHEMBL29443092 0.81 ALDH1A1 (0.50) TDP1MEN1KMT2ACA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438178-A Compound, light-emitting material, delayed fluorescence material, and organic light-emitting element 九州有机光材股份有限公司 2023-07-14 CN disclosed
WO-2022097626-A1 COMPOUND, LIGHT-EMITTING MATERIAL, DELAYED FLUORESCENCE MATERIAL, AND ORGANIC LIGHT-EMITTING ELEMENT 株式会社Kyulux 2022-05-12 WO disclosed