SCHEMBL6068967

SCHEMBL6068967

O=[N+]([O-])c1ccc(OCc2ccccn2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.50
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 5/20 0.48
APOBEC3A P31941 1/20 0.48
HTT P42858 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
MGMT P16455 1/20 0.45
HSPB1 P04792 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 1/20 0.44
SYK P43405 2/20 0.44

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
SCHEMBL6793324 0.87 S1PR4 (0.54) S1PR4ALDH1A1KMT2AAPOBEC3AHTT
SCHEMBL29780767 0.84 MAPT (0.58) S1PR4ALDH1A1KMT2AAPOBEC3AHTT
SCHEMBL30354912 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AAPOBEC3AHTTAPOBEC3G
SCHEMBL30218362 0.84 MAPT (0.58) S1PR4ALDH1A1KMT2AAPOBEC3AHTT
SCHEMBL215759 0.84 MAPT (0.58) S1PR4ALDH1A1KMT2AAPOBEC3AHTT
SCHEMBL6017266 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AAPOBEC3AHTTAPOBEC3G
SCHEMBL6187801 0.84 KMT2A (0.51) ALDH1A1KMT2AAPOBEC3AHTTAPOBEC3G
SCHEMBL1406392 0.82 ALDH1A1 (0.48) ALDH1A1KMT2AAPOBEC3AHTTAPOBEC3G
SCHEMBL30963305 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AAPOBEC3AHTTAPOBEC3G
SCHEMBL3993993 0.82 MAPT (0.56) S1PR4ALDH1A1KMT2AAPOBEC3AHTT

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
US-7081461-B1 Quinazoline compounds and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2006-07-25 US disclosed
EP-1218356-A1 QUINAZOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021594-A1 QUINAZOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-03-29 WO disclosed