SCHEMBL8314704

SCHEMBL8314704

CC(=O)Nc1cccc2c1CC(Br)C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAOA P21397 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CASP3 P42574 1/20 0.43
TYR P14679 1/20 0.41
CCNE2 O96020 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
AHR P35869 1/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL11855787 0.84 ACHE (0.55) NPC1RAB9AMAOAALDH1A1KDM4E
SCHEMBL11756028 0.78 HDAC1 (0.41)
SCHEMBL8099246 0.75 ACHE (0.45) RAB9AALDH1A1KDM4EHPGDGAA
SCHEMBL8560121 0.73 ACHE (0.66) ALDH1A1TYRPOLB
SCHEMBL30666419 0.73 ACHE (0.40) RAB9AMAPT
SCHEMBL8558933 0.73 ACHE (0.40) RAB9AMAPT
SCHEMBL4814588 0.72 NPC1 (0.56) NPC1RAB9AMAOAALDH1A1KDM4E
SCHEMBL28048491 0.72 ADRA2A (0.51) NPC1RAB9AMAOAALDH1A1KDM4E
SCHEMBL9379650 0.71 NPC1 (0.55) NPC1RAB9AMAOAALDH1A1KDM4E
SCHEMBL8555103 0.71 PIM1 (0.46) NPC1ALDH1A1KDM4EGAATYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752991-B1 IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZIN-4-ONES ANTAGONISTS OF AMPA AND NMDA RECEPTORS RHONE POULENC RORER SA (FR) 1999-05-26 EP disclosed
US-5789406-A Indeno 1,2-E!pyrazine-4-ones, their preparation and the medicaments containing them RHONE-POULENC RORER S.A. (FR) 1998-08-04 US disclosed
EP-0752991-A1 INDENO[1,2-e]PYRAZINE-4-ONES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-01-15 EP disclosed
WO-1995026349-A1 INDENO[1,2-e]PYRAZINE-4-ONES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1995-10-05 WO disclosed