SCHEMBL6639741

SCHEMBL6639741

CC(=O)Oc1ccc2c(c1)CC(Nc1ncnc3scc(C)c13)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.47
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NOD2 Q9HC29 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
PIP4K2C Q8TBX8 1/20 0.41
MAPK1 P28482 1/20 0.38
ADRB2 P07550 3/20 0.35
ADRB1 P08588 3/20 0.35
ADRB3 P13945 3/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BTK Q06187 5/20 0.35
CDK2 P24941 1/20 0.34
FLT3 P36888 1/20 0.34
CCNA1 P78396 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL6642436 0.88 LMNA (0.47) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6641452 0.87 IRAK4 (0.52) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6645310 0.83 LMNA (0.42) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6641955 0.83 IRAK4 (0.48) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6641901 0.83 RAB9A (0.52) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6642574 0.83 IRAK4 (0.50) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6642969 0.82 IRAK4 (0.54) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6646758 0.82 IRAK4 (0.49) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6646748 0.82 IRAK4 (0.49) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6646751 0.81 IRAK4 (0.48) IRAK4LMNARAB9ARXFP1NOD2

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
EP-1018514-B1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-05-12 EP claimed
US-6734180-B1 NF-κB inhibitor comprising an indan derivative as an active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-05-11 US claimed
EP-1018514-A1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2000-07-12 EP claimed
EP-1018514-B1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-05-12 EP disclosed
US-6734180-B1 NF-κB inhibitor comprising an indan derivative as an active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-05-11 US disclosed
US-6703421-B1 ADMINISTERING NF-KAPPA B INHIBITOR DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-09 US disclosed
EP-1132093-A1 PREVENTIVES OR REMEDIES FOR MYOCARDITIS, DILATED CARDIOMYOPATHY AND CARDIAC INSUFFICIENCY CONTAINING NF-KAPPA B INHIBITORS AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2001-09-12 EP disclosed
EP-1018514-A1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2000-07-12 EP disclosed