SCHEMBL5651949

SCHEMBL5651949

O=C(Nc1ncc([N+](=O)[O-])cn1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALOX12 P18054 1/20 0.50
ABL1 P00519 1/20 0.49
SRC P12931 1/20 0.49
GAA P10253 1/20 0.49
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48
BACE1 P56817 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL2063757 0.85 KMT2A (0.60) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL29151219 0.83 NPC1 (0.72) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL1942220 0.81 KCNQ3 (0.55) SMN1; SMN2MAPTMEN1KMT2AKCNQ3
SCHEMBL5648961 0.78 CYP1A2 (0.54) RAB9AALDH1A1MEN1KMT2AKCNQ3
SCHEMBL31241045 0.78 KCNQ3 (0.53) RAB9ALMNAMEN1KMT2AKCNQ3
SCHEMBL21616930 0.77 KDR (0.63) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL7142315 0.77 KMT2A (0.71) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL8711539 0.77 KMT2A (0.71) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL5652401 0.77 HDAC3 (0.43) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL28221070 0.75 MEN1 (0.72) NPC1RAB9ASMN1; SMN2LMNAMAPT

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 4 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
CN-1391563-A Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2003-01-15 CN 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