SCHEMBL7847556

SCHEMBL7847556

CN(C)C(=O)Cc1ccc2c(c1)CC(n1cc(C(=O)O)nc1C(=O)O)C2=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.35
AKR1B1 P15121 2/20 0.34
LDHA P00338 1/20 0.33
JAK1 P23458 1/20 0.32
CYP26A1 O43174 1/20 0.32
PARP1 P09874 1/20 0.32
METAP1 P53582 1/20 0.31
CHEK1 O14757 3/20 0.31
BRD4 O60885 1/20 0.31
NUDT1 P36639 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 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
SCHEMBL7847507 0.84 JAK1 (0.34) AKR1B1JAK1BRD4
SCHEMBL7846587 0.84 CYP26A1 (0.31) CYP26A1METAP1
SCHEMBL7846571 0.81 PDE3B (0.38)
SCHEMBL8316058 0.79 KMO (0.37) LDHA
SCHEMBL8316817 0.77 SMN1; SMN2 (0.40) METAP1
SCHEMBL8104380 0.73 MAPK1 (0.34) JAK1
SCHEMBL8090133 0.72 KDM4E (0.33)
SCHEMBL7845284 0.72 PARP1 (0.40) AKR1B1LDHAJAK1CYP26A1PARP1
SCHEMBL8316162 0.71 MAPT (0.41)
SCHEMBL7834401 0.71 TBXAS1 (0.36) LDHA

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