SCHEMBL6645310

SCHEMBL6645310

Cc1csc2ncnc(NC3Cc4ccc(OC(=O)O)cc4C3)c12.NC(=O)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NOD2 Q9HC29 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.39
MAPK1 P28482 1/20 0.38
CDK2 P24941 1/20 0.37
FLT3 P36888 1/20 0.37
CCNA1 P78396 1/20 0.37
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRB2 P07550 4/20 0.34
ADRB1 P08588 4/20 0.34
ADRB3 P13945 4/20 0.34
BTK Q06187 2/20 0.34
PIP4K2C Q8TBX8 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
SCHEMBL6639741 0.83 IRAK4 (0.47) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL6642436 0.80 LMNA (0.47) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL6641452 0.77 IRAK4 (0.52) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL6641901 0.75 RAB9A (0.52) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL6642574 0.75 IRAK4 (0.50) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL6646748 0.74 IRAK4 (0.49) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL6646758 0.74 IRAK4 (0.49) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL6641955 0.74 IRAK4 (0.48) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL6642969 0.73 IRAK4 (0.54) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL6646751 0.72 IRAK4 (0.48) LMNARAB9ARXFP1NOD2IRAK4

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 1 patent. 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