SCHEMBL4457947

SCHEMBL4457947

C=C1CC(=O)N(c2ccc(N3C(=O)C=CC3=O)c3ccccc23)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.44
MGLL Q99685 10/20 0.42
FAAH O00519 1/20 0.36
KMT2A Q03164 3/20 0.34
CASP6 P55212 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
CCR6 P51684 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL4448542 0.94 TLR9 (0.44) TLR9MGLLFAAHKMT2ACASP6
SCHEMBL4443452 0.89 TLR9 (0.59) TLR9MGLLFAAHKMT2ACASP6
SCHEMBL4443401 0.80 MGLL (0.45) TLR9MGLLFAAHKMT2ACASP6
SCHEMBL4899648 0.79 POLB (0.56) KMT2ACASP6TDP1CASP3SENP8
SCHEMBL4455256 0.79 HSP90AA1 (0.43) TLR9MGLLFAAHKMT2AALDH1A1
SCHEMBL5077484 0.79 TLR9 (0.68) TLR9MGLLFAAHTDP1ALDH1A1
SCHEMBL31180023 0.79 TLR9 (0.68) TLR9MGLLFAAHTDP1ALDH1A1
SCHEMBL4445231 0.75 MGLL (0.39) TLR9MGLLKMT2ACASP6TDP1
SCHEMBL4443303 0.75 MGLL (0.56) MGLLFAAHKMT2ATDP1MEN1
SCHEMBL5188759 0.72 GAA (0.41) TLR9KMT2ACASP6TDP1CASP3

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
US-7557151-B2 Rubber composition comprising an itaconimidomaleimide MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2009-07-07 US disclosed
US-20090036579-A1 Rubber Composition Comprising an Itaconimidomaleimide MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2009-02-05 US disclosed
EP-1863871-A1 RUBBER COMPOSITION COMPRISING AN ITACONIMIDO-MALEIMIDE Societe de Technologie Michelin STM (FR) 2007-12-12 EP disclosed
WO-2006099985-A1 RUBBER COMPOSITION COMPRISING AN ITACONIMIDO-MALEIMIDE SOCIETE DE TECHNOLOGIE MICHELIN (FR) 2006-09-28 WO disclosed