SCHEMBL6591626

SCHEMBL6591626

O=c1nc(C(F)(F)F)cc(C=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ RXRA P19793 1/20 0.49
▸ MAPT P10636 5/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ HPGD P15428 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ PSD A5PKW4 1/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ HTT P42858 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 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
SCHEMBL6591623 1.00 KDM4E (0.55) KDM4EALDH1A1RXRAMAPTMEN1
SCHEMBL6668285 0.89 MEN1 (0.52) KDM4EALDH1A1RXRAMAPTMEN1
SCHEMBL16211020 0.88 PSD (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL16211019 0.88 PSD (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13479595 0.83 MEN1 (0.53) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6664624 0.81 PSD (0.52) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6662372 0.81 MEN1 (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6664657 0.80 MEN1 (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6684366 0.79 KMT2A (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6663749 0.77 MAPT (0.48) KDM4EALDH1A1MAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 — — EP claimed
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 — — EP disclosed
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