SCHEMBL8553250

SCHEMBL8553250

C=Cn1cc(C(=O)O)c(=O)c2c(C)c(F)c(N3CCNCC3)c(F)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.41
TOP2B Q02880 4/20 0.41
KDM4E B2RXH2 7/20 0.41
HPGD P15428 6/20 0.41
HSD17B10 Q99714 6/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 5/20 0.41
BRD4 O60885 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CYP2J2 P51589 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP2C9 P11712 2/20 0.40
ATP6V1B2 P21281 1/20 0.40
TBXA2R P21731 1/20 0.40
EDNRA P25101 1/20 0.40
TARBP2 Q15633 1/20 0.40
MEN1 O00255 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
SCHEMBL9090275 0.92 KCNH2 (0.41) TOP2ATOP2BKDM4EHPGDHSD17B10
SCHEMBL8557882 0.88 KDM4E (0.49) TOP2AKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL9089777 0.87 KCNH2 (0.54) TOP2ATOP2BKDM4EHPGDHSD17B10
SCHEMBL8558620 0.87 STAT3 (0.45) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL8558484 0.82 KDM4E (0.53) TOP2ATOP2BKDM4EHPGDHSD17B10
SCHEMBL9636808 0.82 KDM4E (0.54) TOP2ATOP2BKDM4EHPGDHSD17B10
SCHEMBL9089581 0.82 PIM3 (0.51) TOP2ATOP2BALDH1A1KCNH2MEN1
SCHEMBL8554756 0.81 MEN1 (0.61) TOP2ATOP2BKDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL11188305 0.81 KDM4E (0.55) TOP2ATOP2BKDM4EHPGDHSD17B10
SCHEMBL9085957 0.80 KDM4E (0.55) TOP2ATOP2BKDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2815119-B2 1998-10-27 JP claimed
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 EP claimed
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP claimed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 WO claimed
EP-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
US-5591744-A 1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE DERIVATIVES; MICROBIOCIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-01-07 US disclosed
US-5585491-A Antibacterial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-12-17 US disclosed
EP-0287951-B1 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 EP disclosed
US-4920120-A 3-CARBOXY, 4-OXO, 6-FLUORO, 7-NITROGEN-CONTAINING RING 1,4-DIHYDRO-1,8-NAPHTHYRIDINES WARNER-LAMBERT COMPANY (US) 1990-04-24 US disclosed
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP disclosed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 WO disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed