SCHEMBL6646758

SCHEMBL6646758

Cc1csc2ncnc(NC3Cc4ccc(C(=O)O)cc4C3)c12.[Na]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.49
LMNA P02545 4/20 0.48
RAB9A P51151 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NOD2 Q9HC29 1/20 0.48
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
CSNK2A2 P19784 7/20 0.42
CSNK2B P67870 7/20 0.42
CSNK2A1 P68400 7/20 0.42
TP53 P04637 1/20 0.42
FGFR1 P11362 1/20 0.42
PIP4K2C Q8TBX8 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.40
PTPN5 P54829 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6642574 0.99 IRAK4 (0.50) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6646748 0.98 IRAK4 (0.49) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6641955 0.89 IRAK4 (0.48) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6646751 0.89 IRAK4 (0.48) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6639881 0.87 LMNA (0.48) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6640616 0.85 LMNA (0.45) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6641058 0.84 LMNA (0.52) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6642969 0.84 IRAK4 (0.54) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6642436 0.82 LMNA (0.47) IRAK4LMNARAB9ARXFP1NOD2
SCHEMBL6639741 0.82 IRAK4 (0.47) 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