SCHEMBL8323573

SCHEMBL8323573

COc1c(N2CC(=NOC(C)(C)C)C(CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.65
CHRM2 P08172 1/20 0.59
DRD1 P21728 1/20 0.59
DPP4 P27487 1/20 0.59
KDM4E B2RXH2 10/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 3/20 0.58
POLB P06746 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
PRKD3 O94806 1/20 0.58
ALOX15 P16050 1/20 0.58
OPRM1 P35372 1/20 0.58
CLK2 P49760 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
LMNA P02545 3/20 0.56
ABCC4 O15439 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL8323571 1.00 KCNH2 (0.65) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8476554 0.92 CHRM2 (0.60) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8324721 0.92 CHRM2 (0.60) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8324880 0.90 ALDH1A1 (0.58) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8473329 0.90 ALDH1A1 (0.58) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8324766 0.87 KCNH2 (0.62) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8324761 0.87 KCNH2 (0.62) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8475393 0.83 CHRM2 (0.69) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8325563 0.83 CHRM2 (0.60) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL8325560 0.83 CHRM2 (0.60) KCNH2CHRM2DRD1DPP4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962468-A ANTIBACTERIAL ACTIVITY LG CHEMICAL LTD. (KR) 1999-10-05 US disclosed
EP-0688772-B1 Quinoline carboxylic acid derivatives having 7-(4-amino-methyl-3-oxime) pyrrolidine substituents and processes for their preparation LG CHEMICAL LTD (KR) 1999-05-06 EP disclosed
US-5869670-A BACTERICIDES LG CHEMICAL LTD. (KR) 1999-02-09 US disclosed
US-5840916-A INTERMEDIATE FOR QUINOLONE ANTIBIOTICS; 4-AMINOMETHYL-3-METHOXYIMINOPYRROLIDINE LG CHEMICAL LTD. (KR) 1998-11-24 US disclosed
US-5776944-A 7-(4-aminomethyl-3-methyloxyiminopyrroplidin-1-yl)-1-cyclopropyl-6-flu oro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid and the process for the preparation thereof LG CHEMICAL LTD. (KR) 1998-07-07 US disclosed
US-5698570-A QUINOLONE ANTIBIOTIC; BACTERICIDES LG CHEMICAL LTD. (KR) 1997-12-16 US disclosed
EP-0688772-A1 Novel quinoline carboxylic acid derivatives having 7-(4-amino-methyl-3-oxime) pyrrolidine substituents and processes for their preparation LG Chemical Limited (KR) 1995-12-27 EP disclosed