SCHEMBL8443589

SCHEMBL8443589

C=C(C)c1ccccc1N1C(=O)C=C(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TLR9 Q9NR96 2/20 0.36
PKM P14618 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSP90AA1 P07900 1/20 0.36
CCR6 P51684 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGLL Q99685 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MYC P01106 3/20 0.33
NR4A1 P22736 1/20 0.33
MAPT P10636 2/20 0.32
RGS12 O14924 1/20 0.32
APEX1 P27695 1/20 0.32
LMNA P02545 1/20 0.32
CES1 P23141 1/20 0.32
MEN1 O00255 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
SCHEMBL8889997 0.83 MYC (0.51) ALDH1A1TLR9PKMNPSR1HSP90AA1
SCHEMBL7193393 0.81 TLR9 (0.48) TLR9PKMNPSR1MGLLMAPT
SCHEMBL10885143 0.78 TLR9 (0.57) ALDH1A1TLR9PKMNPSR1HSP90AA1
SCHEMBL30473083 0.76 MGLL (0.60) ALDH1A1NPSR1TDP1MGLLSMN1; SMN2
SCHEMBL9492119 0.76 MGLL (0.60) ALDH1A1NPSR1TDP1MGLLSMN1; SMN2
SCHEMBL2229804 0.75 TLR9 (0.63) ALDH1A1TLR9PKMNPSR1HSP90AA1
SCHEMBL3679861 0.74 MGLL (0.38) ALDH1A1TLR9PKMNPSR1HSP90AA1
SCHEMBL19439527 0.73 MGLL (0.56) ALDH1A1TLR9PKMNPSR1MGLL
SCHEMBL29564792 0.73 MGLL (0.56) ALDH1A1TLR9PKMNPSR1MGLL
SCHEMBL20261770 0.73 MGLL (0.59) TLR9PKMMGLLGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0495544-B1 Process for the synthesis of citraconimides AKZO NOBEL NV (NL) 1999-04-07 EP disclosed
US-5523360-A IMPROVES MELT-FLOW PROPERTIES AKZO NOBEL N. V. (NL) 1996-06-04 US disclosed
EP-0648240-A1 PROCESS FOR THE MODIFICATION OF POLYPHENYLENE ETHER RESIN COMPOSITIONS Akzo Nobel N.V. (NL) 1995-04-19 EP disclosed
EP-0495545-B1 Citraconimide (co)polymers and curing with anionic catalyst AKZO NOBEL NV (NL) 1994-12-28 EP disclosed
WO-1994001485-A1 PROCESS FOR THE MODIFICATION OF POLYPHENYLENE ETHER RESIN COMPOSITIONS AKZO NOBEL N.V. (NL) 1994-01-20 WO disclosed
US-5221717-A CITRACONIMIDE (CO)POLYMERS AND CURING WITH ANIONIC CATALYST AKZO N.V. (NL) 1993-06-22 US disclosed
EP-0495545-A1 Citraconimide (co)polymers and curing with anionic catalyst Akzo Nobel N.V. (NL) 1992-07-22 EP disclosed