SCHEMBL28675341

SCHEMBL28675341

Clc1ccc2ccc3ccc4ncoc4c3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.42
CHEK1 O14757 1/20 0.41
NR4A2 P43354 2/20 0.37
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
MPO P05164 1/20 0.36
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 2/20 0.35
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
DYRK1A Q13627 1/20 0.34
KMT2A Q03164 2/20 0.34
PIK3CG P48736 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL30506055 1.00 TYMS (0.42) TYMSCHEK1NR4A2PIK3R1PIK3CA
SCHEMBL30506056 0.89 TYMS (0.43) TYMSNR4A2PIK3R1PIK3CAMPO
SCHEMBL28667885 0.89 TYMS (0.43) TYMSNR4A2PIK3R1PIK3CAMPO
SCHEMBL9194861 0.88 NR4A2 (0.40) TYMSNR4A2PIK3R1PIK3CAMPO
SCHEMBL25647694 0.81 TYMS (0.42) TYMSALDH1A1PARP1KDM4EKMT2A
SCHEMBL9195523 0.80 TYMS (0.40) TYMSNR4A2PIK3R1PIK3CAALDH1A1
SCHEMBL26450579 0.79 AHR (0.49) NR4A2ALDH1A1KDM4EDYRK1AKMT2A
SCHEMBL26450601 0.75 AHR (0.46) ALDH1A1DYRK1AKMT2APIK3CGMAPT
SCHEMBL28667991 0.74 LMNA (0.41) TYMSCHEK1NR4A2ALDH1A1KDM4E
SCHEMBL30506065 0.74 LMNA (0.41) TYMSCHEK1NR4A2ALDH1A1KDM4E

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-113845517-B Phenanthropenta heterocycle organic electroluminescent material, application and device thereof 湖北尚赛光电材料有限公司 2023-07-28 CN disclosed
CN-113845517-A Phenanthro five-membered heterocyclic organic electroluminescent material and application and device thereof 湖北尚赛光电材料有限公司 2021-12-28 CN disclosed