SCHEMBL7845523

SCHEMBL7845523

CCOC(=O)Cc1cccc2c1CC(n1cc(P(=O)(O)O)nc1C(=O)OCC)C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
P2RX7 Q99572 1/20 0.33
MAPT P10636 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
SLC2A2 P11168 1/20 0.30

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
SCHEMBL8090703 0.91 GAA (0.33) ALDH1A1GAAP2RX7MAPTHSD17B10
SCHEMBL7824847 0.88 ALDH1A1 (0.33) ALDH1A1GAAP2RX7MAPTHSD17B10
SCHEMBL8099222 0.87 GAA (0.38) ALDH1A1GAAP2RX7MAPTHSD17B10
SCHEMBL8013600 0.87 ALDH1A1 (0.36) ALDH1A1GAAP2RX7MAPTHSD17B10
SCHEMBL8020015 0.85 P2RX7 (0.33) ALDH1A1GAAP2RX7MAPTHSD17B10
SCHEMBL8593496 0.84 ALDH1A1 (0.34) ALDH1A1GAAP2RX7MAPTHSD17B10
SCHEMBL8012714 0.83 GAA (0.36) ALDH1A1GAAP2RX7MAPTHSD17B10
SCHEMBL8015909 0.83 PARP1 (0.36) ALDH1A1GAAMAPT
SCHEMBL8013354 0.81 GAA (0.36) ALDH1A1GAAPOLBHPGDL3MBTL1
SCHEMBL8013343 0.80 GAA (0.38) ALDH1A1GAAMAPTSMN1; SMN2CYP1A2

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-0820455-B1 5H, 10H-IMIDAZO [1,2-a]INDENO [1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES AVENTIS PHARMA SA (FR) 2001-10-31 EP disclosed
EP-0820455-A1 5H, 10H-IMIDAZO [1,2-a]INDENO [1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES Aventis Pharma S.A. (FR) 1998-01-28 EP disclosed
WO-1996031511-A1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1996-10-10 WO disclosed