SCHEMBL9500971

SCHEMBL9500971

O=C(OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.81
ALDH1A1 P00352 5/20 0.81
LMNA P02545 4/20 0.81
HPGD P15428 4/20 0.81
HSD17B10 Q99714 4/20 0.81
CYP1A2 P05177 1/20 0.81
TOP2A P11388 1/20 0.81
CYP2C9 P11712 1/20 0.81
TOP2B Q02880 1/20 0.81
MAPT P10636 1/20 0.59
TP53 P04637 1/20 0.57
CASP3 P42574 1/20 0.57
CASP9 P55211 1/20 0.57
BAX Q07812 1/20 0.57
BRD4 O60885 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
CYP2J2 P51589 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PIK3CG P48736 5/20 0.51

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
SCHEMBL13923333 0.93 KDM4E (0.79) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8983611 0.92 KDM4E (0.78) KDM4EALDH1A1LMNAHPGDHSD17B10
Triethylene Glycol SCHEMBL1874537 0.92 KDM4E (0.69) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL1387509 0.90 KDM4E (0.75) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL2325956 0.89 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL345730 0.89 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL29137332 0.89 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL4459712 0.89 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL2900 0.89 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin Ethyl Ester SCHEMBL6779201 0.89 KDM4E (0.74) KDM4EALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0312085-B1 NOVEL QUINOLINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND ANTIBACTERIAL AGENT CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1993-05-12 EP disclosed
US-5164392-A Active against streptococci and staphylococci DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-17 US disclosed
US-5013841-A Oxo quinoline derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-07 US disclosed
EP-0312085-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-04-19 EP disclosed