SCHEMBL8559682

SCHEMBL8559682

Cc1c(C=O)nc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.47
PDE9A O76083 2/20 0.47
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NFKB1 P19838 2/20 0.39
CYP1A2 P05177 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KCNMA1 Q12791 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALKBH3 Q96Q83 1/20 0.37
JUN P05412 1/20 0.37
NFKB2 Q00653 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
SCHEMBL8556842 0.87 PDE5A (0.47) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL8554912 0.85 PDE5A (0.64) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL8555284 0.85 PDE5A (0.43) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL8559183 0.82 PDE5A (0.41) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL8557230 0.81 PDE5A (0.48) PDE5APDE9AMAPT
SCHEMBL8557784 0.81 PDE5A (0.47) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL31328139 0.81 PDE5A (0.52) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL7505355 0.81 PDE5A (0.52) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL7517883 0.80 PDE5A (0.48) PDE5APDE9AMAPTMEN1KMT2A
SCHEMBL8554710 0.79 POLB (0.50) 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 disclosed