SCHEMBL6594684

SCHEMBL6594684

O=c1nc(/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(C(F)(F)F)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.68
▸ MEN1 O00255 9/20 0.68
▸ ALDH1A1 P00352 8/20 0.68
▸ KDM4E B2RXH2 5/20 0.68
▸ POLB P06746 4/20 0.68
▸ RECQL P46063 3/20 0.68
▸ USP2 O75604 2/20 0.68
▸ HTT P42858 2/20 0.68
▸ TLR9 Q9NR96 1/20 0.68
▸ MAPT P10636 10/20 0.61
▸ LMNA P02545 5/20 0.61
▸ HPGD P15428 5/20 0.61
▸ PSD A5PKW4 1/20 0.60
▸ L3MBTL1 Q9Y468 4/20 0.58
▸ CRHBP P24387 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ NPSR1 Q6W5P4 5/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TNF P01375 2/20 0.51
▸ NOD1 Q9Y239 2/20 0.51

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
SCHEMBL6594687 1.00 KMT2A (0.68) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL6591495 0.86 KMT2A (0.60) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL6596545 0.86 KMT2A (0.60) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL6594291 0.86 KMT2A (0.60) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL6594296 0.86 KMT2A (0.60) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL6595242 0.85 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL6595245 0.85 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL6597478 0.85 MEN1 (0.57) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL6597482 0.85 MEN1 (0.57) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL6597815 0.85 KDM4E (0.74) KMT2AMEN1ALDH1A1KDM4EPOLB

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 3 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
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 — — WO disclosed
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 — — EP disclosed
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