SCHEMBL8558484

SCHEMBL8558484

CCn1cc(C(=O)O)c(=O)c2c(C)c(F)c(N3CCNCC3)c(F)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
HSD17B10 Q99714 5/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 5/20 0.53
LMNA P02545 3/20 0.53
BRD4 O60885 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
CYP2J2 P51589 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP2C9 P11712 2/20 0.52
ATP6V1B2 P21281 1/20 0.52
TBXA2R P21731 1/20 0.52
EDNRA P25101 1/20 0.52
TARBP2 Q15633 1/20 0.52
PMP22 Q01453 1/20 0.51
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL9089087 0.92 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL9085957 0.89 KDM4E (0.55) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL6720755 0.88 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8558164 0.88 KDM4E (0.55) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8554403 0.87 KDM4E (0.70) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL9088719 0.82 KDM4E (0.69) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8554756 0.82 MEN1 (0.61) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8553250 0.82 TOP2A (0.41) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8621996 0.81 PIM3 (0.52) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8111615 0.81 STAT3 (0.49) KDM4EHSD17B10ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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