SCHEMBL8942041

SCHEMBL8942041

CNC1CN(c2cc3nc4c(cc3cc2F)c(=O)c(C(=O)O)cn4NC)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.42
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 6/20 0.40
LMNA P02545 5/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 4/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
XBP1 P17861 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
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 2/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL8942236 0.92 TOP1 (0.39) TOP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL8941949 0.91 TOP1 (0.39) TOP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL8942031 0.91 KMT2A (0.46) TOP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL8941982 0.90 TOP1 (0.43) TOP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL8942035 0.89 TOP1 (0.38) TOP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL8941940 0.89 ALDH1A1 (0.39) TOP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL8941960 0.88 DPP4 (0.49) TOP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL8942082 0.87 TOP1 (0.41) TOP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL8942065 0.87 TOP1 (0.41) TOP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL8942168 0.87 LMNA (0.52) TOP1ALDH1A1KDM4ELMNAHPGD

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