SCHEMBL8555838

SCHEMBL8555838

Cc1c(N2CCNCC2)c(F)c(F)c2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
KCNH2 Q12809 5/20 0.55
HRH3 Q9Y5N1 1/20 0.55
POLB P06746 3/20 0.54
CACNA1F O60840 1/20 0.54
MAPK1 P28482 1/20 0.54
CACNA1D Q01668 1/20 0.54
CACNA1S Q13698 1/20 0.54
CACNA1C Q13936 1/20 0.54
TOP2A P11388 5/20 0.53
TOP2B Q02880 5/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
OPRM1 P35372 2/20 0.49

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
SCHEMBL8555655 0.94 KCNH2 (0.55) MEN1KMT2AKCNH2HRH3POLB
SCHEMBL10449186 0.93 MEN1 (0.73) MEN1KMT2AKCNH2HRH3POLB
Hydrochloric Acid SCHEMBL10581429 0.92 MEN1 (0.72) MEN1KMT2AKCNH2HRH3POLB
SCHEMBL8557696 0.91 KCNH2 (0.53) MEN1KMT2AKCNH2HRH3POLB
SCHEMBL8437298 0.91 KCNH2 (0.64) MEN1KMT2AKCNH2HRH3POLB
Hydrochloric Acid SCHEMBL9022804 0.90 KCNH2 (0.63) MEN1KMT2AKCNH2HRH3POLB
SCHEMBL8555217 0.89 MEN1 (0.68) MEN1KMT2AKCNH2HRH3POLB
SCHEMBL8554756 0.88 MEN1 (0.61) MEN1KMT2AKCNH2HRH3POLB
SCHEMBL8558156 0.88 MEN1 (0.61) MEN1KMT2AKCNH2HRH3POLB
SCHEMBL9088726 0.86 KCNH2 (0.54) MEN1KMT2AKCNH2HRH3POLB

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