SCHEMBL25523741

SCHEMBL25523741

Cc1cc(C2CCOCC2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
GAA P10253 5/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 2/20 0.54
AHR P35869 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
HCRTR1 O43613 1/20 0.50
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.49
BACE1 P56817 1/20 0.46
NCF1 P14598 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ACHE P22303 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL29559196 1.00 KDM4E (0.54) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL6489166 0.89 POLB (0.59) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL25523588 0.87 CYP1A2 (0.55) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL25523590 0.86 KDM4E (0.56) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL31289580 0.84 KDM4E (0.58) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL12527449 0.84 KDM4E (0.58) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL30524343 0.84 KDM4E (0.58) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL31289581 0.84 KDM4E (0.58) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL3388558 0.82 CYP1A2 (0.56) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL29219482 0.82 POLB (0.49) KDM4EGAAALDH1A1SMN1; SMN2HPGD

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
CN-114277389-B Method for synthesizing quinoline derivative by utilizing pyridinium photoelectrocatalysis Minisci reaction 齐鲁工业大学 2023-09-19 CN disclosed
WO-2023077218-A1 PHOTOCATALYSTS, PREPARATION AND USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) 2023-05-11 WO disclosed
CN-114277389-A Method for synthesizing quinoline derivative by utilizing pyridinium photoelectrocatalysis Minisci reaction 齐鲁工业大学 2022-04-05 CN disclosed