SCHEMBL29862158

SCHEMBL29862158

Cc1cccc2c(N(C)C)cccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.62
CYP2A6 P11509 3/20 0.62
CHEK1 O14757 1/20 0.54
NEK2 P51955 1/20 0.54
LIMK1 P53667 1/20 0.54
DYRK1A Q13627 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
CA2 P00918 1/20 0.50
EP300 Q09472 1/20 0.47
KAT2B Q92831 1/20 0.47
KAT8 Q9H7Z6 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL469267 1.00 CYP1A2 (0.62) CYP1A2CYP2A6CHEK1NEK2LIMK1
SCHEMBL8720110 0.87 CHEK1 (0.65) CYP1A2CHEK1NEK2LIMK1DYRK1A
SCHEMBL29862285 0.86 CYP1A2 (0.62) CYP1A2CYP2A6CHEK1NEK2LIMK1
SCHEMBL1755244 0.86 CYP1A2 (0.62) CYP1A2CYP2A6CHEK1NEK2LIMK1
SCHEMBL424167 0.79 CYP1A2 (1.00) CYP1A2CYP2A6CA2ALDH1A1TDP1
SCHEMBL29463284 0.79 CYP1A2 (1.00) CYP1A2CYP2A6CA2ALDH1A1TDP1
SCHEMBL14959260 0.79 CYP1A2 (0.52) CYP1A2CYP2A6CHEK1NEK2LIMK1
SCHEMBL29862298 0.77 MEN1 (0.47) CYP1A2CYP2A6CHEK1NEK2LIMK1
SCHEMBL8990307 0.76 CHEK1 (0.73) CYP1A2CHEK1NEK2LIMK1DYRK1A
SCHEMBL29919884 0.76 CHEK1 (0.73) CYP1A2CHEK1NEK2LIMK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025078298-A1 METHODS FOR THE SAMPLING AND AUTHENTICATION OF MARKERS IN PRESSURIZED LIQUIFIED HYDROCARBON PRODUCTS SICPA HOLDING SA (CH) 2025-04-17 WO disclosed
EP-4069807-A1 METHOD FOR DETERMINING AUTHENTICITY AND ADULTERATION OF MARKED PETROLEUM HYDROCARBONS Sicpa Holding SA (CH) 2022-10-12 EP disclosed
EP-4069806-A1 METHOD OF MARKING A PETROLEUM HYDROCARBON Sicpa Holding SA (CH) 2022-10-12 EP disclosed