SCHEMBL8942014

SCHEMBL8942014

CN(C)C1CN(c2cc3nc4c(cc3cc2F)c(=O)c(C(=O)O)cn4C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.40
FLT4 P35916 1/20 0.40
GSK3B P49841 1/20 0.40
RARB P10826 1/20 0.40
TBXAS1 P24557 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 7/20 0.39
LMNA P02545 6/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 5/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
XBP1 P17861 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
DRD3 P35462 1/20 0.39
CYP2C9 P11712 2/20 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
SCHEMBL8942045 0.90 DRD3 (0.41) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8942000 0.88 KMT2A (0.48) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8942171 0.88 LMNA (0.52) KMT2AALDH1A1LMNAKDM4EHPGD
SCHEMBL8942140 0.88 DPP4 (0.48) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL8942157 0.87 KDM4E (0.44) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8941982 0.86 TOP1 (0.43) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9775874 0.86 KMT2A (0.41) EPHA2FLT4GSK3BRARBTBXAS1
Water SCHEMBL9776074 0.86 KMT2A (0.40) EPHA2FLT4GSK3BRARBTBXAS1
Water SCHEMBL9776084 0.86 KMT2A (0.40) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8942146 0.85 ALDH1A1 (0.39) 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