SCHEMBL29906406

SCHEMBL29906406

CC1=C(Cc2ccccc2)C(=O)c2cc(F)ccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.52
ALDH1A1 P00352 4/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
ALOX12 P18054 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CCR6 P51684 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
APAF1 O14727 1/20 0.42
MITF O75030 1/20 0.42
MAPK1 P28482 2/20 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
SCHEMBL26982470 1.00 TBXAS1 (0.52) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL17988770 0.88 MAOB (0.46) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL17988765 0.88 MAOB (0.46) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL12822625 0.87 ALDH1A1 (0.43) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL12760735 0.87 ALDH1A1 (0.43) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL12833647 0.84 ALDH1A1 (0.62) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL7912380 0.84 TBXAS1 (0.69) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL26982487 0.84 TBXAS1 (0.57) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL29906459 0.84 TBXAS1 (0.57) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL12822037 0.83 CHRM5 (0.47) TBXAS1ALDH1A1LMNAMAPTKDM4E

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