SCHEMBL8556953

SCHEMBL8556953

C=C(C(=O)O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n2c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.48
PDE9A O76083 2/20 0.48
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NFKB1 P19838 2/20 0.38
CYP1A2 P05177 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KCNMA1 Q12791 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHEK1 O14757 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MET P08581 1/20 0.37

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
SCHEMBL7505355 0.89 PDE5A (0.52) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL31328139 0.89 PDE5A (0.52) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL7517883 0.86 PDE5A (0.48) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL7503779 0.82 CHEK1 (0.55) PDE5APDE9ACHEK1DAPK3PRKD3
SCHEMBL8557784 0.81 PDE5A (0.47) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL8554829 0.80 PDE9A (0.61) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL8557418 0.80 PDE5A (0.49) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL8554912 0.78 PDE5A (0.64) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL8557475 0.78 PDE9A (0.49) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL8559682 0.77 PDE5A (0.47) PDE5APDE9AMAPTMEN1KMT2A

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
EP-0691970-B1 IMIDAZOLOQUINOXALINONE DERIVATIVES AS EAA ANTAGONISTS BASF AG (DE) 1998-11-11 EP claimed