SCHEMBL30450577

SCHEMBL30450577

CCN(C)c1ccccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
NEK2 P51955 1/20 0.42
LIMK1 P53667 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
CYP3A4 P08684 4/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 4/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HPGD P15428 2/20 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
SCHEMBL5637004 1.00 CHEK1 (0.42) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL31718392 0.83 SIGMAR1 (0.37) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3542027 0.83 CHEK1 (0.39) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL30936628 0.83 CHEK1 (0.39) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL15928725 0.81 CYP3A4 (0.50) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL12673297 0.80 CHEK1 (0.41) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL11320774 0.79 CYP1A2 (0.43) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL50190 0.79 ALDH1A1 (0.43) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL755230 0.78 HRH3 (0.42) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29986635 0.78 CYP1A2 (0.42) CHEK1NEK2LIMK1DYRK1ACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3682019-B1 ELECTROCHEMICAL RECOGNITION AND QUANTIFICATION OF CYTOCHROME C OXIDASE EXPRESSION IN BACTERIA UNIV OXFORD INNOVATION LTD (GB) 2025-11-05 EP claimed
CN-115894884-A Trifunctional organic catalyst, and preparation method and application thereof 浙江大学 2023-04-04 CN claimed
CN-115894884-B Trifunctional organic catalyst and preparation method and application thereof 浙江大学 2024-07-05 CN disclosed
CN-115894884-A Trifunctional organic catalyst, and preparation method and application thereof 浙江大学 2023-04-04 CN disclosed