SCHEMBL8557025

SCHEMBL8557025

Cc1oc(=O)oc1CN1CCN(c2c(F)c(C)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KCNH2 Q12809 4/20 0.47
CACNA1F O60840 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
GSK3B P49841 8/20 0.44
TOP2A P11388 3/20 0.44
TOP2B Q02880 3/20 0.44
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL10507569 0.85 TOP2A (0.51) KCNH2POLBTOP2ATOP2BHRH3
SCHEMBL10569031 0.85 KCNH2 (0.58) KCNH2POLBTOP2ATOP2BHRH3
SCHEMBL9048471 0.85 HRH3 (0.59) KCNH2TOP2ATOP2BHRH3LMNA
SCHEMBL10507545 0.84 ALDH1A1 (0.46) KCNH2POLBTOP2ATOP2BLMNA
SCHEMBL10508242 0.82 ALDH1A1 (0.59) KCNH2POLBTOP2ATOP2BHRH3
SCHEMBL8557677 0.81 MEN1 (0.60) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL8556567 0.80 MEN1 (0.59) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL8559664 0.80 GSK3B (0.49) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL8102400 0.80 MEN1 (0.61) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL8555769 0.80 MEN1 (0.58) MEN1KMT2AKCNH2CACNA1FPOLB

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 6 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
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-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