SCHEMBL8555038

SCHEMBL8555038

CCOC(=O)c1cn(C2CC2)c2c(C)c(N3CCN(Cc4ccccc4)C(C)C3)c(F)c(C)c2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.39
ADRB2 P07550 1/20 0.39
KCNH2 Q12809 3/20 0.39
STAT3 P40763 1/20 0.38
CACNA1F O60840 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
GSK3B P49841 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CHRM2 P08172 1/20 0.37

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
SCHEMBL8557203 0.92 KDM4E (0.49) KDM4EALDH1A1POLBTDP1LMNA
SCHEMBL8560598 0.89 ALDH1A1 (0.52) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL10494854 0.88 KDM4E (0.55) KDM4EALDH1A1POLBTDP1LMNA
SCHEMBL8111823 0.82 STAT3 (0.45) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL10570810 0.81 KDM4E (0.52) KDM4EALDH1A1POLBTDP1LMNA
SCHEMBL10494893 0.79 KCNH2 (0.61) KDM4EALDH1A1POLBTDP1LMNA
SCHEMBL8559664 0.79 GSK3B (0.49) KDM4EALDH1A1POLBTDP1LMNA
SCHEMBL8116966 0.79 ADRB2 (0.43) ALDH1A1POLBMEN1KMT2AADRB2
SCHEMBL8559684 0.76 STAT3 (0.43) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL7579697 0.76 ADRB2 (0.49) KDM4EALDH1A1POLBLMNAMEN1

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