SCHEMBL7842879

SCHEMBL7842879

COC(=O)N(C)C(=O)c1cccc2c1CCC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
KEAP1 Q14145 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPRC P08575 1/20 0.35
USP2 O75604 1/20 0.34
S100A4 P26447 1/20 0.34
ABCB1 P08183 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
BRAF P15056 1/20 0.32
PDE4D Q08499 1/20 0.32
CXCR2 P25025 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRB2 P07550 1/20 0.32

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
SCHEMBL4819056 0.83 KEAP1 (0.54) ALDH1A1GAAKEAP1KDM4EHPGD
SCHEMBL31305912 0.79 PTPRC (0.50) ALDH1A1GAAKDM4EHPGDMEN1
SCHEMBL7406575 0.79 PTPRC (0.50) ALDH1A1GAAKDM4EHPGDMEN1
SCHEMBL7844718 0.78 ACHE (0.36) ALDH1A1GAAKEAP1KDM4EHPGD
SCHEMBL31032281 0.71 ALDH1A1 (0.47) ALDH1A1GAALMNAPOLBMAPT
SCHEMBL569778 0.71 ALDH1A1 (0.47) ALDH1A1GAALMNAPOLBMAPT
SCHEMBL7842881 0.70 ALDH1A1 (0.46) ALDH1A1GAAKEAP1KDM4EMEN1
SCHEMBL5886388 0.70 PTPRC (0.48) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL13728618 0.70 PTPRC (0.48) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL21471348 0.70 PARP1 (0.53) ALDH1A1GAAKEAP1KDM4EHPGD

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 5 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
US-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed
US-5902803-A 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) 1999-05-11 US 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