SCHEMBL7906299

SCHEMBL7906299

Cc1cc2c(cc1C(=O)O)[nH]c(=O)c1nnc(C3CCCCC3)n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.46
PDE5A O76074 2/20 0.40
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
G6PD P11413 1/20 0.36
PKM P14618 1/20 0.36
ALOX12 P18054 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIA1 P42261 2/20 0.35
GRIA2 P42262 2/20 0.35
GRIA3 P42263 2/20 0.35
GRIA4 P48058 2/20 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
SCHEMBL7898752 0.99 PDE9A (0.45) PDE9APDE5APOLBMEN1KMT2A
SCHEMBL470981 0.97 PDE9A (0.43) PDE9APDE5APOLBMEN1KMT2A
SCHEMBL12043283 0.91 PDE9A (0.38) PDE9APDE5APOLBMEN1KMT2A
SCHEMBL7904372 0.91 PDE9A (0.38) PDE9APDE5APOLBALDH1A1KDM4E
SCHEMBL7905754 0.91 PDE9A (0.38) PDE9APDE5APOLBALDH1A1KDM4E
SCHEMBL7911518 0.90 PDE9A (0.37) PDE9APOLBALDH1A1KDM4EHPGD
SCHEMBL12043311 0.88 PDE9A (0.37) PDE9APDE5APOLBALDH1A1KDM4E
SCHEMBL7908131 0.88 PDE9A (0.36) PDE9APDE5APOLBMEN1KMT2A
SCHEMBL10053427 0.86 PDE9A (0.40) PDE9APOLBMEN1KMT2AALDH1A1
SCHEMBL7898759 0.86 PDE9A (0.34) PDE9APOLBALDH1A1KDM4EHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404922-B1 QUINOXALINE COMPOUNDS ASTELLAS PHARMA INC (JP) 2016-11-09 EP disclosed
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP disclosed
WO-2010101230-A1 QUINOXALINE COMPOUNDS アステラス製薬株式会社 (JP) 2010-09-10 WO disclosed