SCHEMBL8557499

SCHEMBL8557499

O=C(O)Oc1cn2c(n1)c(=O)[nH]c1cc(C(F)(F)F)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.46
PDE9A O76083 2/20 0.46
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
KMT2A Q03164 2/20 0.40
NFKB1 P19838 2/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KCNMA1 Q12791 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EGLN1 Q9GZT9 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL8555347 0.88 PDE5A (0.41) PDE5APDE9AMEN1CYP1A2KMT2A
SCHEMBL8557963 0.81 GRIN2D (0.40) EGLN1
SCHEMBL9043231 0.80 POLB (0.48) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL7773136 0.78 GRIA1 (0.51)
SCHEMBL8552970 0.78 SRC (0.35) MEN1KMT2ACYP2C19PMP22ALDH1A1
SCHEMBL8557418 0.76 PDE5A (0.49) PDE5APDE9AMEN1CYP1A2KMT2A
SCHEMBL8557792 0.74 PDE5A (0.47) PDE5APDE9AMEN1CYP1A2KMT2A
SCHEMBL8557015 0.74 PDE9A (0.47) PDE5APDE9AMEN1CYP1A2KMT2A
SCHEMBL31328139 0.72 PDE5A (0.52) PDE5APDE9AMEN1CYP1A2KMT2A
SCHEMBL7505355 0.72 PDE5A (0.52) PDE5APDE9AMEN1CYP1A2KMT2A

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