SCHEMBL7848964

SCHEMBL7848964

N[C@@H]1C=CC[C@@H]2CN(c3ncc4c(=O)c(C(=O)O)cn(-c5ccc(F)cc5)c4c3Cl)C[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.41
FLT4 P35916 1/20 0.41
GSK3B P49841 1/20 0.41
RARB P10826 1/20 0.41
TBXAS1 P24557 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
LMNA P02545 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 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
KMT2A Q03164 2/20 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
SCHEMBL7850849 0.89 EPHA2 (0.54) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7841764 0.89 KDM4E (0.38) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7851199 0.86 EPHA2 (0.42) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7851434 0.83 KDM4E (0.36) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7852422 0.83 POLB (0.45) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8695749 0.82 ALDH1A1 (0.38) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7852626 0.82 ALDH1A1 (0.38) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7853124 0.82 ALDH1A1 (0.38) EPHA2FLT4GSK3BRARBTBXAS1
Bromide SCHEMBL8693293 0.82 ALDH1A1 (0.45) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL7851705 0.82 LMNA (0.40) CYP2C9LMNAKDM4EALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726270-B1 Derivatives of 1,6-naphthyridone carboxylic acids BAYER AG (DE) 2001-05-23 EP disclosed
US-5811433-A ANTIMICROBIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-22 US disclosed
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 EP disclosed