SCHEMBL9450352

SCHEMBL9450352

Nc1c(Cl)ccc2c1C(=O)NC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.48
PARP1 P09874 4/20 0.42
CES1 P23141 6/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
PKM P14618 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GSK3B P49841 1/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
APEX1 P27695 2/20 0.38
RECQL P46063 2/20 0.38
BLM P54132 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
RGS12 O14924 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL767501 0.81 PARP1 (0.50) PPOXPARP1MAOAMAOBGSK3B
SCHEMBL454553 0.79 PPOX (0.52) PPOXPARP1CES1MAOAMAOB
SCHEMBL28641724 0.78 CES1 (0.50) PPOXPARP1CES1MAOAMAOB
SCHEMBL28688078 0.76 PPOX (0.48) PPOXPARP1CES1MAOAMAOB
SCHEMBL6154703 0.76 CES1 (0.55) PPOXPARP1CES1MAOAMAOB
SCHEMBL28982560 0.76 TDP1 (0.59) PPOXPARP1CES1MAOAMAOB
SCHEMBL9382392 0.76 PPOX (0.48) PPOXPARP1CES1MAOAMAOB
SCHEMBL29011346 0.75 PPOX (0.52) PPOXPARP1CES1MAOAMAOB
SCHEMBL28721617 0.74 ATM (0.47) PPOXPARP1CES1MAOAMAOB
SCHEMBL10733345 0.74 MEN1 (0.56) CES1MAOAMAOBPKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266678-A Heck carbonylation reaction, carbon monoxide EASTMAN KODAK COMPANY (US) 1993-11-30 US disclosed
US-5266679-A Heck carbonylation reaction, carbon monoxide EASTMAN KODAK COMPANY (US) 1993-11-30 US disclosed
EP-0530706-A1 A method for producing polyamide-imides EASTMAN KODAK COMPANY (US) 1993-03-10 EP disclosed
EP-0530704-A1 A method for preparing polyamide-imides EASTMAN KODAK COMPANY (US) 1993-03-10 EP disclosed
WO-1982001554-A1 POLYCARBONATES STABILIZED BY HALOHYDROCARBON,HALOCARBON OR SILANE GROUPS MCALISTER ROY E 1982-05-13 WO disclosed
EP-0027144-A4 POLYCARBONATES STABILIZED BY HALOHYDROCARBON, HALOCARBON OR SILANE GROUPS. MCALISTER ROY E 1981-05-19 EP disclosed
EP-0027144-A1 POLYCARBONATES STABILIZED BY HALOHYDROCARBON, HALOCARBON OR SILANE GROUPS McALISTER, Roy Edward (US) 1981-04-22 EP disclosed
WO-1980002290-A1 POLYCARBONATES STABILIZED BY HALOHYDROCARBON,HALOCARBON OR SILANE GROUPS MCALISTER R 1980-10-30 WO disclosed