SCHEMBL4042675

SCHEMBL4042675

CCC(OC(N)=O)n1cnc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 5/20 0.37
HTT P42858 3/20 0.37
POLB P06746 2/20 0.37
CHEK2 O96017 1/20 0.37
MAPK1 P28482 1/20 0.37
SCN4A P35499 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35

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
SCHEMBL3881328 0.75 L3MBTL1 (0.74) L3MBTL1MAPTHTTPOLBMAPK1
SCHEMBL4266168 0.69 MAPT (0.48) L3MBTL1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL26758110 0.69 L3MBTL1 (0.56) L3MBTL1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28590881 0.68 USP5 (0.61) L3MBTL1MEN1KMT2AMAPTHTT
SCHEMBL28608341 0.68 L3MBTL1 (0.57) L3MBTL1MEN1KMT2AMAPTHTT
SCHEMBL26758106 0.66 L3MBTL1 (0.58) L3MBTL1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28581747 0.65 L3MBTL1 (0.56) L3MBTL1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9800651 0.65 HTT (0.49) L3MBTL1MEN1KMT2AMAPTHTT
SCHEMBL4252776 0.64 PARP1 (0.72) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL30656820 0.64 L3MBTL1 (0.68) L3MBTL1MEN1KMT2ASMN1; SMN2MAPT

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-2010504-A1 QUINAZOLIN-4-ONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007119055-A1 QUINAZOLIN-4-ONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-10-25 WO disclosed