SCHEMBL9523387

SCHEMBL9523387

NC1CN(c2cc3c(cc2F)c(=O)c(OC(=O)O)cn3-c2ccc(F)cc2F)CC12CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.43
FLT4 P35916 1/20 0.43
GSK3B P49841 1/20 0.43
RARB P10826 1/20 0.43
TBXAS1 P24557 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 2/20 0.42
LMNA P02545 5/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
POLB P06746 1/20 0.40
XBP1 P17861 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TOP1 P11387 4/20 0.36

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
SCHEMBL8775543 0.89 EPHA2 (0.54) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9523754 0.85 EPHA2 (0.59) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9526884 0.84 KDM4E (0.49) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9666639 0.83 LMNA (0.45) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9210974 0.81 GSK3B (0.43) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8321538 0.81 EPHA2 (0.39) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8318212 0.80 LMNA (0.42) EPHA2FLT4GSK3BRARBTBXAS1
Hydrochloric Acid SCHEMBL9215646 0.78 KMT2A (0.38) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9572100 0.78 LMNA (0.53) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8899520 0.78 KDM4E (0.48) EPHA2FLT4GSK3BRARBTBXAS1

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-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP claimed