SCHEMBL8323314

SCHEMBL8323314

NC12C=CC=CC1CN(c1cc3c(cc1F)c(=O)c(C(=O)C[N+](=O)[O-])cn3C1CC1)C2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
PIK3CD O00329 4/20 0.44
PIK3R1 P27986 4/20 0.44
PIK3CA P42336 4/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.44
TOP2A P11388 1/20 0.44
CYP2C9 P11712 1/20 0.44
TOP2B Q02880 1/20 0.44
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8323756 0.87 KDM4E (0.58) PIK3CGKDM4EALDH1A1PIK3CDPIK3R1
SCHEMBL8326222 0.85 KCNH2 (0.43) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL8323321 0.85 KCNH2 (0.35) PIK3CGALDH1A1PIK3CDPIK3R1PIK3CA
SCHEMBL8323667 0.84 ALDH1A1 (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8322362 0.82 KCNH2 (0.51) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8323758 0.82 KDM4E (0.45) PIK3CGKDM4EALDH1A1PIK3CDPIK3R1
SCHEMBL8323670 0.81 KCNH2 (0.37) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL8319818 0.81 KDM4E (0.46) PIK3CGKDM4EALDH1A1PIK3CDPIK3R1
SCHEMBL8322363 0.80 KCNH2 (0.38) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL9151966 0.77 KDM4E (0.71) PIK3CGKDM4EALDH1A1PIK3CDPIK3R1

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-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP disclosed
US-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 EP disclosed