SCHEMBL7841764

SCHEMBL7841764

CN[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 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 2/20 0.38
XBP1 P17861 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
EPHA2 P29317 1/20 0.37
FLT4 P35916 1/20 0.37
GSK3B P49841 1/20 0.37
RARB P10826 1/20 0.37
TBXAS1 P24557 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
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
SCHEMBL7841766 0.91 LMNA (0.32) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL7850569 0.90 LMNA (0.49) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL7848964 0.89 EPHA2 (0.41) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL7849608 0.83 KDM4E (0.37) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL7851419 0.83 ALDH1A1 (0.41) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL8693329 0.83 LMNA (0.39) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL7854450 0.83 LMNA (0.39) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL8697881 0.83 CYP3A4 (0.35) ALDH1A1POLBCYP3A4CYP2C9DPP4
SCHEMBL7841699 0.83 CYP3A4 (0.35) ALDH1A1POLBCYP3A4CYP2C9DPP4
SCHEMBL7850573 0.82 KDM4E (0.41) KDM4ELMNAALDH1A1HPGDHSD17B10

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