SCHEMBL7041991

SCHEMBL7041991

C=C(C)c1nn2ccccc2c1-c1n[nH]c(=O)cc1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 4/20 0.46
PDE4B Q07343 4/20 0.46
PDE5A O76074 2/20 0.40
ADORA1 P30542 2/20 0.35
MAPK1 P28482 2/20 0.35
MIF P14174 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
PDE4A P27815 1/20 0.34
ADORA2A P29274 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL7032871 0.76 PDE3A (0.65) PDE3APDE4BPDE5AADORA1MAPK1
SCHEMBL7036956 0.68 PDE3A (0.40) PDE3APDE4BPDE5AADORA1MIF
SCHEMBL7508751 0.66 PDE4B (0.52) PDE3APDE4BPDE5AMAPK1ALDH1A1
SCHEMBL7036909 0.66 ADORA1 (0.43) PDE3APDE4BPDE5AADORA1MAPK1
SCHEMBL7039890 0.63 PDE5A (0.42) PDE3APDE4BPDE5AADORA1MIF
SCHEMBL7035541 0.62 ADORA1 (0.45) PDE3APDE4BPDE5AADORA1MAPK1
SCHEMBL7038368 0.62 ADORA1 (0.48) PDE3APDE4BPDE5AADORA1MEN1
SCHEMBL7036654 0.62 ADORA1 (0.44) PDE3APDE4BPDE5AADORA1ALDH1A1
SCHEMBL5234995 0.61 MAPK1 (0.52) ADORA1MAPK1ALDH1A1ADORA2AIGF1R
SCHEMBL7035962 0.61 ADORA1 (0.43) PDE3APDE4BPDE5AADORA1ALDH1A1

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