SCHEMBL29906350

SCHEMBL29906350

CC1=C(Cc2ccccc2C)C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.53
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
APAF1 O14727 1/20 0.49
MITF O75030 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
CDC25A P30304 3/20 0.44
CDC25B P30305 3/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
S100A4 P26447 4/20 0.43
IDO1 P14902 2/20 0.43

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
SCHEMBL26982467 1.00 TBXAS1 (0.53) TBXAS1MAPTKDM4EALDH1A1LMNA
SCHEMBL5810540 0.85 TBXAS1 (0.62) TBXAS1MAPTKDM4EALDH1A1LMNA
SCHEMBL12834580 0.83 TBXAS1 (0.50) TBXAS1MAPTKDM4EALDH1A1LMNA
SCHEMBL15690996 0.83 NPC1 (0.44) TBXAS1MAPTALDH1A1LMNAHTT
SCHEMBL29906342 0.83 TBXAS1 (0.50) TBXAS1MAPTKDM4EALDH1A1LMNA
SCHEMBL12833641 0.80 CDC25A (0.51) TBXAS1MAPTKDM4EALDH1A1LMNA
SCHEMBL26982476 0.79 TBXAS1 (0.47) TBXAS1MAPTKDM4EALDH1A1LMNA
SCHEMBL7099801 0.79 ALDH1A1 (0.54) TBXAS1MAPTKDM4EALDH1A1LMNA
SCHEMBL7912380 0.78 TBXAS1 (0.69) TBXAS1MAPTKDM4EALDH1A1LMNA
SCHEMBL5820368 0.77 MAPT (0.58) TBXAS1MAPTKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022184904-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-09-09 WO disclosed