SCHEMBL7194688

SCHEMBL7194688

CC(C)n1nc(-c2c(/C=C/c3ccccc3)nn3ccccc23)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.41
PDE3A Q14432 3/20 0.41
PDE4B Q07343 6/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
GLA P06280 2/20 0.38
RET P07949 1/20 0.38
ADORA1 P30542 1/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 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
SCHEMBL7194693 1.00 PDE5A (0.41) PDE5APDE3APDE4BKDM4EALDH1A1
SCHEMBL7040393 0.86 PDE5A (0.44) PDE5APDE3APDE4BALDH1A1ADORA1
SCHEMBL7040647 0.86 MAPT (0.38) PDE5APDE3APDE4BKDM4EALDH1A1
SCHEMBL7038848 0.85 PDE5A (0.43) PDE5APDE3APDE4BALDH1A1ADORA1
SCHEMBL7034421 0.84 PDE4B (0.40) PDE5APDE3APDE4BALDH1A1ADORA1
SCHEMBL7109021 0.84 PDE5A (0.36) PDE5APDE3APDE4BKDM4EALDH1A1
SCHEMBL7039977 0.83 MAPT (0.38) PDE5APDE3APDE4BKDM4EALDH1A1
SCHEMBL7039975 0.83 MAPT (0.38) PDE5APDE3APDE4BKDM4EALDH1A1
SCHEMBL7037894 0.83 PDE5A (0.41) PDE5APDE3APDE4BALDH1A1ADORA1
SCHEMBL7041467 0.81 PDE5A (0.40) PDE5APDE3APDE4BALDH1A1ADORA1

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