SCHEMBL8942049

SCHEMBL8942049

Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(Nc5ccc(CCN)cc5)C4)cc3nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.40
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
XBP1 P17861 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
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
ATM Q13315 1/20 0.36

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
SCHEMBL8941970 0.92 TOP1 (0.42) TOP1KDM4EALDH1A1HPGDLMNA
SCHEMBL8941918 0.91 TOP1 (0.41) TOP1KDM4EALDH1A1HPGDLMNA
SCHEMBL8942239 0.91 ENPP2 (0.45) TOP1KDM4EALDH1A1HPGDLMNA
SCHEMBL8942101 0.90 TOP1 (0.39) TOP1KDM4EALDH1A1HPGDLMNA
SCHEMBL8942072 0.89 DPP4 (0.45) TOP1KDM4EALDH1A1HPGDLMNA
SCHEMBL8942091 0.85 KDM4E (0.38) TOP1KDM4EALDH1A1HPGDLMNA
SCHEMBL8942003 0.84 ALDH1A1 (0.40) TOP1KDM4EALDH1A1HPGDLMNA
SCHEMBL7227463 0.84 LMNA (0.44) TOP1KDM4EALDH1A1HPGDLMNA
SCHEMBL8941982 0.83 TOP1 (0.43) TOP1KDM4EALDH1A1HPGDLMNA
SCHEMBL8942032 0.83 DRD3 (0.41) TOP1KDM4EALDH1A1HPGDLMNA

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