SCHEMBL29906459

SCHEMBL29906459

CC1=C(Cc2cccc(F)c2)C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.57
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
CCR6 P51684 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
IDH1 O75874 1/20 0.45
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
APAF1 O14727 1/20 0.43
MITF O75030 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 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
SCHEMBL26982487 1.00 TBXAS1 (0.57) TBXAS1KDM4EMAPTALDH1A1LMNA
SCHEMBL26982470 0.84 TBXAS1 (0.52) TBXAS1KDM4EMAPTALDH1A1LMNA
SCHEMBL29906406 0.84 TBXAS1 (0.52) TBXAS1KDM4EMAPTALDH1A1LMNA
SCHEMBL12833647 0.83 ALDH1A1 (0.62) TBXAS1KDM4EMAPTALDH1A1LMNA
SCHEMBL7912380 0.82 TBXAS1 (0.69) TBXAS1KDM4EMAPTALDH1A1LMNA
SCHEMBL12834563 0.82 TBXAS1 (0.57) TBXAS1KDM4EMAPTALDH1A1LMNA
SCHEMBL29906400 0.81 TBXAS1 (0.53) TBXAS1MAPTLMNADAOTAAR1
SCHEMBL26982485 0.81 TBXAS1 (0.53) TBXAS1MAPTLMNADAOTAAR1
SCHEMBL28931377 0.81 STAT3 (0.44) TBXAS1IDH1DAOTAAR1CA12
SCHEMBL30069055 0.81 STAT3 (0.44) TBXAS1IDH1DAOTAAR1CA12

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