SCHEMBL8558933

SCHEMBL8558933

O=C1c2cccc(Cl)c2CC1Br

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
AADAT Q8N5Z0 1/20 0.38
NOTUM Q6P988 1/20 0.37
MAPK14 Q16539 2/20 0.35
S100A4 P26447 2/20 0.35
MAPT P10636 1/20 0.35
NSD2 O96028 2/20 0.34
BCHE P06276 1/20 0.34
DAO P14920 1/20 0.34
CES1 P23141 1/20 0.34
TP53 P04637 1/20 0.33
RECQL P46063 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
RAB9A P51151 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
SCHEMBL30666419 1.00 ACHE (0.40) ACHEAADATNOTUMMAPK14S100A4
SCHEMBL8555103 0.79 PIM1 (0.46) ACHES100A4
SCHEMBL8559576 0.78 CES1 (0.34) NOTUMCES1
SCHEMBL20539615 0.78 ACHE (0.40) ACHEAADATNOTUMMAPK14S100A4
SCHEMBL30666598 0.78 ACHE (0.40) ACHEAADATHTR1AHTR7
SCHEMBL1453411 0.78 ACHE (0.66) ACHEAADATNOTUMMAPK14S100A4
SCHEMBL8560121 0.78 ACHE (0.66) ACHEAADATDAO
SCHEMBL8556821 0.78 ACHE (0.40) ACHEAADATHTR1AHTR7
SCHEMBL7180368 0.76 PARP10 (0.44) ACHEBRD4HTR1AHTR7
SCHEMBL7846004 0.75 ACHE (0.38) ACHENOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107673956-A A kind of preparation method of benzo ring ketone compounds 江苏扬农化工股份有限公司 2018-02-09 CN disclosed
EP-0662971-B1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF AND MEDICAMENTS CONTAINING THEM RHONE POULENC RORER SA (FR) 1998-05-13 EP disclosed
US-5677306-A ANTAGONIZING ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID RECEPTOR, USEFUL FOR TREATING ALL ISCHEMIAS RHONE-POULENC RORER S.A. (FR) 1997-10-14 US disclosed
EP-0662971-A1 DERIVATIVES OF 5H,10H-IMIDAZO 1,2-a]INDENO 1,2-e]PYRAZINE-4-ONE, PREPARATION THEREOF AND MEDICAMENTS CONTAINING THEM Aventis Pharma S.A. (FR) 1995-07-19 EP disclosed
WO-1994007893-A1 DERIVATIVES OF 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE, PREPARATION THEREOF AND MEDICAMENTS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1994-04-14 WO disclosed
US-4174397-A TREATMENT OF OBESITY AND LIPID METABOLISM DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-13 US disclosed