SCHEMBL7040647

SCHEMBL7040647

CC(C)n1nc(-c2c(C=Cc3ccc(N4CCOCC4)cc3)nn3ccccc23)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
ACHE P22303 1/20 0.37
APP P05067 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PDE5A O76074 2/20 0.35
PDE4B Q07343 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PKM P14618 1/20 0.35
PDE3A Q14432 1/20 0.34
ENPP1 P22413 1/20 0.34
BRD4 O60885 1/20 0.34
MITF O75030 1/20 0.34

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
SCHEMBL7040645 0.87 KMT2A (0.36) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7040649 0.87 KMT2A (0.36) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7194693 0.86 PDE5A (0.41) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7194688 0.86 PDE5A (0.41) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7109021 0.82 PDE5A (0.36) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7151884 0.79 PDE4B (0.39) PDE5APDE4BPDE3A
SCHEMBL7040393 0.77 PDE5A (0.44) MEN1KMT2AALDH1A1PDE5APDE4B
SCHEMBL7038848 0.76 PDE5A (0.43) MEN1KMT2AALDH1A1PDE5APDE4B
SCHEMBL7039977 0.75 MAPT (0.38) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7039975 0.75 MAPT (0.38) MAPTNPC1RAB9ASMN1; SMN2KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003004494-A1 PYRIDAZINONE COMPOUND AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-16 WO disclosed