SCHEMBL9418752

SCHEMBL9418752

Cc1cc(N2C(=O)C=CC2=O)cc(N2C(=O)C=CC2=O)c1C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 4/20 0.55
HSP90AA1 P07900 3/20 0.55
MGLL Q99685 10/20 0.47
G6PD P11413 2/20 0.43
TLR9 Q9NR96 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NLRP1 Q9C000 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 2/20 0.43
NSD2 O96028 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL9418757 0.77 CCR6 (0.61) CCR6HSP90AA1MGLLG6PDFAAH
SCHEMBL29898506 0.76 TLR9 (0.61) CCR6HSP90AA1MGLLG6PDTLR9
SCHEMBL1741609 0.76 TLR9 (0.61) CCR6HSP90AA1MGLLG6PDTLR9
SCHEMBL94095 0.76 MGLL (0.57) CCR6HSP90AA1MGLLG6PDTLR9
SCHEMBL7767130 0.75 CCR6 (0.59) CCR6HSP90AA1MGLLG6PDALDH1A1
SCHEMBL6691307 0.75 HSP90AA1 (0.59) CCR6HSP90AA1MGLLG6PDALDH1A1
SCHEMBL3681498 0.74 CCR6 (0.33) CCR6HSP90AA1
SCHEMBL9418753 0.74 HSP90AA1 (0.58) CCR6HSP90AA1MGLLG6PDTLR9
SCHEMBL9418756 0.73 MGLL (0.58) CCR6HSP90AA1MGLLG6PDTLR9
SCHEMBL8641616 0.72 MGLL (0.70) CCR6HSP90AA1MGLLG6PDPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410152-B1 Rubber composition having excellent dynamic properties SUMITOMO CHEMICAL CO (JP) 1994-02-23 EP disclosed
US-5109055-A Blend with a dinitrodiamine compound with n-(cyclohexylthio)-phthalimide and(or) 2,3,5,6-tetrachloro-1,4-benzoqionone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-28 US disclosed
EP-0410152-A1 Rubber composition having excellent dynamic properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-30 EP disclosed