SCHEMBL9544064

SCHEMBL9544064

CCn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.55
GRIA2 P42262 2/20 0.55
GRIA3 P42263 2/20 0.55
GRIA4 P48058 2/20 0.55
PDE5A O76074 2/20 0.52
PDE9A O76083 2/20 0.52
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
THRB P10828 2/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.45
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL7359701 0.85 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL8117343 0.84 MEN1 (0.47) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL8345718 0.83 MEN1 (0.51) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL7478166 0.83 PDE5A (0.50) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL8345751 0.82 PDE5A (0.46) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL7486477 0.81 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL24335140 0.81 PDE5A (0.48) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL29580737 0.81 PDE5A (0.48) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL7360391 0.81 GRIA1 (0.59) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL9395706 0.81 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4PDE5A

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
WO-1993008173-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-29 WO disclosed