SCHEMBL5550684

SCHEMBL5550684

CC(=O)ONc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
GAA P10253 2/20 0.50
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK10 P53779 1/20 0.46
KCNH2 Q12809 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CA12 O43570 1/20 0.44
MMP2 P08253 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
IDO1 P14902 1/20 0.43

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
SCHEMBL4716631 0.80 ALDH1A1 (0.59) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11414621 0.79 MEN1 (0.50) MEN1KMT2AGAARAB9ANPC1
SCHEMBL12344972 0.79 MEN1 (0.50) MEN1KMT2AGAARAB9ANPC1
SCHEMBL27945115 0.77 MEN1 (0.47) MEN1KMT2AGAARAB9ANPC1
SCHEMBL4766156 0.77 NAPRT (0.52) KMT2AGAARAB9ANPC1MAPT
SCHEMBL9769260 0.76 PARP1 (0.51) MEN1KMT2A
SCHEMBL687148 0.76 GAA (0.68) MEN1KMT2AGAARAB9ANPC1
SCHEMBL29493316 0.76 GAA (0.68) MEN1KMT2AGAARAB9ANPC1
SCHEMBL28812358 0.75 NAPRT (0.50) KMT2AGAARAB9ANPC1MAPT
SCHEMBL29187452 0.75 NAPRT (0.50) KMT2AGAARAB9ANPC1MAPT

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
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 WO disclosed