SCHEMBL8320861

SCHEMBL8320861

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(=NOC(C)(C)C)C(CN)C3)c(F)c21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
HSD17B10 Q99714 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
PMP22 Q01453 1/20 0.54
CHRM2 P08172 1/20 0.49
DRD1 P21728 1/20 0.49
DPP4 P27487 1/20 0.49
LMNA P02545 2/20 0.47
ABCC4 O15439 1/20 0.47
KCNH2 Q12809 4/20 0.42
TOP1 P11387 5/20 0.41
DRD3 P35462 1/20 0.39
BRD4 O60885 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
CYP2J2 P51589 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL8320856 1.00 KDM4E (0.55) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8476554 0.88 CHRM2 (0.60) KDM4EHSD17B10ALDH1A1HPGDCHRM2
SCHEMBL8324721 0.88 CHRM2 (0.60) KDM4EHSD17B10ALDH1A1HPGDCHRM2
SCHEMBL8318631 0.86 KDM4E (0.52) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8318633 0.86 KDM4E (0.52) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8324880 0.83 ALDH1A1 (0.58) KDM4EHSD17B10ALDH1A1HPGDCHRM2
SCHEMBL8473329 0.83 ALDH1A1 (0.58) KDM4EHSD17B10ALDH1A1HPGDCHRM2
SCHEMBL8323571 0.82 KCNH2 (0.65) KDM4EHSD17B10ALDH1A1HPGDCHRM2
SCHEMBL8323573 0.82 KCNH2 (0.65) KDM4EHSD17B10ALDH1A1HPGDCHRM2
SCHEMBL10686208 0.79 KDM4E (0.66) KDM4EHSD17B10ALDH1A1HPGDPMP22

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 8 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
US-5633262-A BACTERICIDES LG CHEMICAL LTD. (KR) 1997-05-27 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