SCHEMBL29906348

SCHEMBL29906348

CC1=C(Cc2cc(I)cc(I)c2)C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.56
MAPT P10636 8/20 0.45
ALDH1A1 P00352 7/20 0.45
LMNA P02545 7/20 0.45
KDM4E B2RXH2 5/20 0.45
HTT P42858 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
APAF1 O14727 1/20 0.45
MITF O75030 1/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
S100A4 P26447 3/20 0.41
CDC25A P30304 2/20 0.41
CDC25B P30305 2/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
PKM P14618 5/20 0.40

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
SCHEMBL26982473 1.00 TBXAS1 (0.56) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL26982469 0.85 TBXAS1 (0.57) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL29906417 0.85 TBXAS1 (0.57) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL26982486 0.83 TBXAS1 (0.59) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL29906379 0.83 TBXAS1 (0.59) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL7912380 0.81 TBXAS1 (0.69) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL29906375 0.81 TBXAS1 (0.56) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL26982488 0.81 TBXAS1 (0.56) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL5810540 0.80 TBXAS1 (0.62) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL12833655 0.78 TBXAS1 (0.54) TBXAS1MAPTALDH1A1LMNAKDM4E

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