SCHEMBL8941927

SCHEMBL8941927

Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(N)(c5ccccc5)C4)cc3nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.38
FLT4 P35916 1/20 0.38
GSK3B P49841 1/20 0.38
RARB P10826 1/20 0.38
TBXAS1 P24557 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 4/20 0.37
LMNA P02545 5/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 5/20 0.37
HPGD P15428 4/20 0.37
HTT P42858 3/20 0.37
HSD17B10 Q99714 3/20 0.37
POLB P06746 2/20 0.37
XBP1 P17861 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MEN1 O00255 3/20 0.37
DPP4 P27487 3/20 0.37

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
SCHEMBL8941896 0.89 LMNA (0.49) KMT2ALMNAALDH1A1KDM4EHPGD
SCHEMBL8942182 0.89 EPHA2 (0.37) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8942026 0.89 ALDH1A1 (0.44) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8942108 0.89 KDM4E (0.37) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8941958 0.88 ALDH1A1 (0.39) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8941957 0.87 DPP4 (0.51) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8942015 0.85 DRD3 (0.41) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8942146 0.84 ALDH1A1 (0.39) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8941954 0.84 DRD3 (0.40) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8942189 0.83 HPGD (0.38) 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
US-5556861-A 1,8 benzonaphthyridine derivatives and antimicrobial compositions LABORATOIRE ROGER BELLON (FR) 1996-09-17 US disclosed