SCHEMBL5651517

SCHEMBL5651517

O=C(Nc1ncc([N+](=O)[O-])cn1)c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.61
KCNQ3 O43525 2/20 0.56
KCNQ2 O43526 2/20 0.56
KCNE1 P15382 2/20 0.56
KCNQ1 P51787 2/20 0.56
KCNQ5 Q9NR82 1/20 0.56
ALOX5 P09917 1/20 0.55
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ADORA1 P30542 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 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
SCHEMBL5016607 0.85 ALDH1A1 (0.65) STAT3KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2063757 0.83 KMT2A (0.60) ALOX5KMT2AMEN1ALDH1A1MAPT
SCHEMBL1942220 0.82 KCNQ3 (0.55) STAT3KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL5649097 0.81 KCNQ3 (0.61) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL13802456 0.80 MEN1 (0.71) KCNQ3KCNQ2KCNE1KCNQ1ALOX5
SCHEMBL28581285 0.79 MAPT (0.53) STAT3KMT2AMEN1ALDH1A1MAPT
SCHEMBL29886205 0.79 MAPT (0.53) STAT3KMT2AMEN1ALDH1A1MAPT
SCHEMBL13802453 0.78 MEN1 (0.81) ALOX5KMT2AMEN1ALDH1A1MAPT
SCHEMBL399870 0.76 MEN1 (0.68) ALOX5KMT2AMEN1ALDH1A1MAPT
SCHEMBL12834030 0.76 MEN1 (0.64) STAT3ALOX5KMT2AMEN1ALDH1A1

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-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed