SCHEMBL29906408

SCHEMBL29906408

O=C1C(Cc2ccc(C(F)(F)F)cc2)=C(Oc2ccccc2)C(=O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.45
▸ HKDC1 Q2TB90 4/20 0.44
▸ HSP90AA1 P07900 2/20 0.44
▸ NSD2 O96028 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ CHRM5 P08912 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ NPSR1 Q6W5P4 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ CCR6 P51684 3/20 0.41
▸ ALOX12 P18054 3/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ HTT P42858 2/20 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
SCHEMBL26982471 1.00 MAPK14 (0.45) MAPK14HKDC1HSP90AA1NSD2TLR9
SCHEMBL29906407 0.84 HIF1A (0.50) HKDC1MEN1KMT2ACHRM5ALDH1A1
SCHEMBL26982495 0.84 HIF1A (0.50) HKDC1MEN1KMT2ACHRM5ALDH1A1
SCHEMBL29906359 0.80 CHRM5 (0.46) HKDC1NSD2MEN1KMT2ACHRM5
SCHEMBL26982491 0.80 CHRM5 (0.46) HKDC1NSD2MEN1KMT2ACHRM5
SCHEMBL13879151 0.79 NSD2 (0.49) MAPK14HKDC1HSP90AA1NSD2TLR9
SCHEMBL26982493 0.79 ALDH1A1 (0.48) HKDC1HSP90AA1MEN1KMT2ACHRM5
SCHEMBL29906422 0.79 ALDH1A1 (0.48) HKDC1HSP90AA1MEN1KMT2ACHRM5
SCHEMBL29906421 0.78 PTPN1 (0.48) EPHX2CHRM5ALDH1A1MAPTNPSR1
SCHEMBL26982481 0.78 PTPN1 (0.48) EPHX2CHRM5ALDH1A1MAPTNPSR1

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
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