SCHEMBL9418751

SCHEMBL9418751

Cc1cc(N2C(=O)C=CC2=O)nc(N2C(=O)C=CC2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.56
CCR6 P51684 3/20 0.56
MGLL Q99685 10/20 0.45
GAA P10253 1/20 0.38
FAAH O00519 2/20 0.37
BCHE P06276 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NLRP1 Q9C000 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
TLR9 Q9NR96 1/20 0.34
LMNA P02545 1/20 0.34
NSD2 O96028 1/20 0.32
G6PD P11413 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
SCHEMBL3483046 0.71 HSP90AA1 (1.00) HSP90AA1CCR6MGLLFAAHBCHE
SCHEMBL144792 0.71 HSP90AA1 (0.91) HSP90AA1CCR6MGLLFAAHBCHE
SCHEMBL349418 0.71 MGLL (0.50) HSP90AA1MGLLFAAHBCHEALDH1A1
SCHEMBL2906559 0.70 HSP90AA1 (0.58) HSP90AA1CCR6MGLLFAAHALDH1A1
SCHEMBL9418753 0.70 HSP90AA1 (0.58) HSP90AA1CCR6MGLLFAAHALDH1A1
SCHEMBL14380666 0.68 LMNA (0.51) HSP90AA1CCR6MGLLALDH1A1MAPT
SCHEMBL19067153 0.68 MGLL (0.41) HSP90AA1CCR6MGLLFAAHBCHE
SCHEMBL30003370 0.67 MGLL (0.40) HSP90AA1CCR6MGLLFAAHBCHE
SCHEMBL22325658 0.65 HSP90AA1 (0.52) HSP90AA1CCR6MGLLFAAHALDH1A1
SCHEMBL5178729 0.64 MGLL (0.48) HSP90AA1CCR6MGLLFAAHBCHE

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