SCHEMBL9536611

SCHEMBL9536611

CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(N3CC4=C(C3)C(NC)CC4)c(F)c21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 1/20 0.46
CACNA1F O60840 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
CACNA1D Q01668 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
GSK3B P49841 13/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PMP22 Q01453 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
SLC2A1 P11166 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9537372 0.89 CACNA1F (0.47) FOXO1CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9536591 0.87 CACNA1F (0.61) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9535876 0.80 KDM4E (0.48) POLBKCNH2KDM4EALDH1A1HPGD
SCHEMBL10683743 0.76 POLB (0.52) FOXO1CACNA1FPOLBMAPK1CACNA1D
SCHEMBL10680723 0.76 KDM4E (0.54) FOXO1CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9688844 0.75 POLB (0.52) FOXO1CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9536474 0.75 CACNA1F (0.64) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9535484 0.75 DRD3 (0.59) MAPK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6720755 0.75 KDM4E (0.53) FOXO1CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9689732 0.75 KCNH2 (0.51) FOXO1CACNA1FPOLBMAPK1CACNA1D

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
WO-1993013090-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES AND PROCESSES FOR PREPARING SAME HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed
EP-0549857-A1 Antibacterial quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
EP-0550019-A2 Novel quinolone carboxylic acid derivatives and processes for preparing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed