SCHEMBL8558490

SCHEMBL8558490

Cc1c(F)c(N2CCNCC2)c(F)c2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
LMNA P02545 5/20 0.50
HPGD P15428 5/20 0.50
HSD17B10 Q99714 5/20 0.50
TOP2A P11388 6/20 0.49
TOP2B Q02880 4/20 0.49
TOP1 P11387 2/20 0.49
HTT P42858 3/20 0.43
BRD4 O60885 1/20 0.43
TSHR P16473 1/20 0.43
CYP2J2 P51589 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
EPHA2 P29317 1/20 0.41
FLT4 P35916 1/20 0.41
GSK3B P49841 1/20 0.41
RARB P10826 1/20 0.41

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
SCHEMBL8557898 0.90 KMT2A (0.52) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9087790 0.88 KCNH2 (0.54) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL8622069 0.85 KMT2A (0.54) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL10588580 0.85 KMT2A (0.54) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL8621440 0.85 LMNA (0.57) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9870883 0.85 TOP2A (0.61) ALDH1A1KDM4ELMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL8554393 0.84 LMNA (0.58) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9086627 0.84 KCNH2 (0.53) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL5868633 0.84 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL8619695 0.84 KMT2A (0.60) ALDH1A1TOP2ATOP2BTOP1KMT2A

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 16 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-0319906-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-14 EP 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