SCHEMBL29906374

SCHEMBL29906374

CC1=C(Cc2ccc(Br)cc2F)C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.45
CHRM5 P08912 1/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
PTPRC P08575 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
APAF1 O14727 1/20 0.41
MITF O75030 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
POLB P06746 2/20 0.39
KDM1A O60341 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL26982482 1.00 TBXAS1 (0.45) TBXAS1CHRM5AURKAAURKBPTPRC
SCHEMBL29906472 0.82 PTPRC (0.49) TBXAS1AURKAAURKBPTPRCKDM4E
SCHEMBL26982489 0.82 PTPRC (0.49) TBXAS1AURKAAURKBPTPRCKDM4E
SCHEMBL12834580 0.77 TBXAS1 (0.50) TBXAS1AURKAAURKBKDM4EALDH1A1
SCHEMBL29906342 0.77 TBXAS1 (0.50) TBXAS1AURKAAURKBKDM4EALDH1A1
SCHEMBL12834563 0.77 TBXAS1 (0.57) TBXAS1AURKAAURKBPTPRCKDM4E
SCHEMBL29906375 0.76 TBXAS1 (0.56) TBXAS1AURKAAURKBPTPRCKDM4E
SCHEMBL26982488 0.76 TBXAS1 (0.56) TBXAS1AURKAAURKBPTPRCKDM4E
SCHEMBL5810540 0.76 TBXAS1 (0.62) TBXAS1AURKAAURKBPTPRCKDM4E
SCHEMBL12833639 0.75 TBXAS1 (0.59) TBXAS1CHRM5AURKAAURKBPTPRC

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
WO-2022184904-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-09-09 WO disclosed
EP-4053096-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS Centre national de la recherche scientifique (FR) 2022-09-07 EP disclosed