SCHEMBL8555217

SCHEMBL8555217

Cc1c(N2CCNC(C)C2)c(F)c(F)c2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
KCNH2 Q12809 7/20 0.68
HRH3 Q9Y5N1 1/20 0.68
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 4/20 0.62
HPGD P15428 4/20 0.62
HSD17B10 Q99714 4/20 0.62
POLB P06746 3/20 0.62
OPRM1 P35372 2/20 0.62
PRKD3 O94806 1/20 0.62
ALOX15 P16050 1/20 0.62
CLK2 P49760 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
CACNA1F O60840 1/20 0.59
MAPK1 P28482 1/20 0.59
CACNA1D Q01668 1/20 0.59
CACNA1S Q13698 1/20 0.59
CACNA1C Q13936 1/20 0.59

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
SCHEMBL8554356 0.95 KCNH2 (0.69) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL9435467 0.93 MEN1 (0.79) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL8558544 0.93 KCNH2 (0.66) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL8558517 0.90 KCNH2 (0.70) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL8555838 0.89 MEN1 (0.63) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL9089534 0.88 KCNH2 (0.67) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL8554461 0.87 KCNH2 (0.69) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL9090553 0.87 KCNH2 (0.66) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL8556219 0.87 MEN1 (0.66) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL9838718 0.86 MEN1 (0.68) MEN1KMT2AKCNH2HRH3ALDH1A1

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