SCHEMBL8942065

SCHEMBL8942065

CNC1CN(c2cc3nc4c(cc3cc2F)c(=O)c(C(=O)O)cn4OC)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.41
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 6/20 0.39
LMNA P02545 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 4/20 0.39
POLB P06746 1/20 0.39
XBP1 P17861 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
EPHA2 P29317 1/20 0.39
FLT4 P35916 1/20 0.39
GSK3B P49841 1/20 0.39
RARB P10826 1/20 0.39
TBXAS1 P24557 1/20 0.39
SLC6A3 Q01959 1/20 0.39
DPP4 P27487 4/20 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
SCHEMBL8941916 0.89 KDM4E (0.41) TOP1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL8941982 0.88 TOP1 (0.43) TOP1KMT2AKDM4ELMNAALDH1A1
SCHEMBL8942041 0.87 TOP1 (0.42) TOP1KMT2AKDM4ELMNAALDH1A1
SCHEMBL8941960 0.86 DPP4 (0.49) TOP1KDM4ELMNAALDH1A1HSD17B10
SCHEMBL8942168 0.85 LMNA (0.52) TOP1KMT2AKDM4ELMNAALDH1A1
SCHEMBL8942082 0.85 TOP1 (0.41) TOP1KMT2AKDM4ELMNAALDH1A1
SCHEMBL8942224 0.85 ALDH1A1 (0.48) TOP1KMT2AKDM4ELMNAALDH1A1
SCHEMBL9775920 0.84 ALDH1A1 (0.52) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL9775973 0.83 ALDH1A1 (0.52) TOP1KMT2AKDM4ELMNAALDH1A1
SCHEMBL8941977 0.83 KMT2A (0.38) KMT2AKDM4ELMNAALDH1A1HSD17B10

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