SCHEMBL8557475

SCHEMBL8557475

CC(C)c1c(C(=O)O)nc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 3/20 0.49
PDE5A O76074 2/20 0.49
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 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
PIN1 Q13526 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
SCN10A Q9Y5Y9 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
SCHEMBL7505355 0.86 PDE5A (0.52) PDE9APDE5AALDH1A1MEN1KMT2A
SCHEMBL31328139 0.86 PDE5A (0.52) PDE9APDE5AALDH1A1MEN1KMT2A
SCHEMBL8557015 0.85 PDE9A (0.47) PDE9APDE5AALDH1A1MEN1KMT2A
SCHEMBL7510573 0.81 PDE5A (0.50) PDE9APDE5AALDH1A1MEN1KMT2A
SCHEMBL8555764 0.81 PDE5A (0.49) PDE9APDE5AALDH1A1MEN1KMT2A
SCHEMBL8555296 0.79 PDE5A (0.42) PDE9APDE5A
SCHEMBL7504242 0.78 PDE5A (0.48) PDE9APDE5AMEN1KMT2ACYP1A2
SCHEMBL7517883 0.78 PDE5A (0.48) PDE9APDE5AALDH1A1MEN1KMT2A
SCHEMBL8556953 0.78 PDE5A (0.48) PDE9APDE5AALDH1A1MEN1KMT2A
SCHEMBL7510154 0.77 PDE5A (0.46) PDE9APDE5AALDH1A1MEN1KMT2A

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