SCHEMBL8942226

SCHEMBL8942226

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(N)C4)cc3nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
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
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8942082 0.89 TOP1 (0.41) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8942000 0.87 KMT2A (0.48) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8941920 0.87 KMT2A (0.38) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8941882 0.87 ALDH1A1 (0.38) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8942103 0.87 LMNA (0.38) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8942165 0.86 EPHA2 (0.37) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8942218 0.85 ALDH1A1 (0.45) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8942267 0.85 ALDH1A1 (0.37) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8942031 0.85 KMT2A (0.46) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9775916 0.85 ALDH1A1 (0.52) KMT2ACYP2C9ALDH1A1KDM4ELMNA

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