SCHEMBL8318633

SCHEMBL8318633

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(=NOCc4ccccc4)C(CN)C3)c(F)c21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.52
PMP22 Q01453 1/20 0.51
CHRM2 P08172 1/20 0.47
DRD1 P21728 1/20 0.47
DPP4 P27487 1/20 0.47
TOP1 P11387 10/20 0.45
LMNA P02545 2/20 0.45
ABCC4 O15439 1/20 0.45
KCNH2 Q12809 1/20 0.40
POLB P06746 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL8318631 1.00 KDM4E (0.52) KDM4EHSD17B10HPGDALDH1A1PMP22
SCHEMBL8328305 0.89 CHRM2 (0.57) KDM4EHSD17B10HPGDALDH1A1CHRM2
SCHEMBL8328308 0.89 CHRM2 (0.57) KDM4EHSD17B10HPGDALDH1A1CHRM2
SCHEMBL8320861 0.86 KDM4E (0.55) KDM4EHSD17B10HPGDALDH1A1PMP22
SCHEMBL8320856 0.86 KDM4E (0.55) KDM4EHSD17B10HPGDALDH1A1PMP22
SCHEMBL8324766 0.83 KCNH2 (0.62) KDM4EHSD17B10HPGDALDH1A1CHRM2
SCHEMBL8324761 0.83 KCNH2 (0.62) KDM4EHSD17B10HPGDALDH1A1CHRM2
SCHEMBL8321460 0.83 ALDH1A1 (0.58) KDM4EHSD17B10HPGDALDH1A1CHRM2
SCHEMBL8321462 0.83 ALDH1A1 (0.58) KDM4EHSD17B10HPGDALDH1A1CHRM2
SCHEMBL8319838 0.77 CHRM2 (0.56) KDM4EHSD17B10HPGDALDH1A1CHRM2

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