SCHEMBL29906397

SCHEMBL29906397

CC1=C(Cc2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
LMNA P02545 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TBXAS1 P24557 1/20 0.50
APAF1 O14727 1/20 0.50
MITF O75030 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CDC25A P30304 3/20 0.42
CDC25B P30305 3/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
S100A4 P26447 4/20 0.41
MAP2K7 O14733 1/20 0.41

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
SCHEMBL26982477 1.00 MAPT (0.52) MAPTLMNAKDM4EALDH1A1HTT
SCHEMBL5810540 0.82 TBXAS1 (0.62) MAPTLMNAKDM4EALDH1A1HTT
SCHEMBL12833652 0.78 MAPT (0.51) MAPTLMNAKDM4EALDH1A1HTT
SCHEMBL12833640 0.77 MAPT (0.62) MAPTLMNAKDM4EALDH1A1HTT
SCHEMBL7912380 0.75 TBXAS1 (0.69) MAPTLMNAKDM4EALDH1A1HTT
SCHEMBL707464 0.74 MAPT (0.54) MAPTLMNAKDM4EALDH1A1HTT
SCHEMBL30106700 0.74 TBXAS1 (0.62) MAPTLMNAKDM4EALDH1A1HTT
SCHEMBL5820368 0.74 MAPT (0.58) MAPTLMNAKDM4EALDH1A1HTT
SCHEMBL12761935 0.72 TBXAS1 (0.60) MAPTLMNAKDM4EALDH1A1HTT
SCHEMBL29906409 0.72 TBXAS1 (0.60) MAPTLMNAKDM4EALDH1A1HTT

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