SCHEMBL8941958

SCHEMBL8941958

Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(C)(N)C4)cc3nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
DRD3 P35462 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
KMT2A Q03164 3/20 0.38
LMNA P02545 7/20 0.38
KDM4E B2RXH2 7/20 0.38
HPGD P15428 6/20 0.38
HSD17B10 Q99714 6/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
CYP2C9 P11712 2/20 0.38
ATP6V1B2 P21281 1/20 0.38
TBXA2R P21731 1/20 0.38
EDNRA P25101 1/20 0.38
TARBP2 Q15633 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
SCHEMBL8942146 0.90 ALDH1A1 (0.39) ALDH1A1DRD3EPHA2FLT4GSK3B
SCHEMBL8942015 0.90 DRD3 (0.41) ALDH1A1DRD3EPHA2FLT4GSK3B
SCHEMBL8942174 0.89 ALDH1A1 (0.49) ALDH1A1DRD3EPHA2FLT4GSK3B
SCHEMBL8941985 0.89 ALDH1A1 (0.38) ALDH1A1DRD3EPHA2FLT4GSK3B
SCHEMBL8941954 0.88 DRD3 (0.40) ALDH1A1DRD3EPHA2FLT4GSK3B
SCHEMBL8941927 0.88 EPHA2 (0.38) ALDH1A1DRD3EPHA2FLT4GSK3B
SCHEMBL8941977 0.88 KMT2A (0.38) ALDH1A1DRD3EPHA2FLT4GSK3B
SCHEMBL8942107 0.88 LMNA (0.52) ALDH1A1DRD3KMT2ALMNAKDM4E
SCHEMBL8941986 0.88 ALDH1A1 (0.38) ALDH1A1DRD3EPHA2FLT4GSK3B
SCHEMBL8942165 0.88 EPHA2 (0.37) ALDH1A1DRD3EPHA2FLT4GSK3B

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 2 patents. 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 claimed
US-5556861-A 1,8 benzonaphthyridine derivatives and antimicrobial compositions LABORATOIRE ROGER BELLON (FR) 1996-09-17 US disclosed