SCHEMBL8919113

SCHEMBL8919113

NC1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.73
TOP1 P11387 4/20 0.62
GSK3B P49841 2/20 0.57
EPHA2 P29317 1/20 0.57
FLT4 P35916 1/20 0.57
RARB P10826 1/20 0.57
TBXAS1 P24557 1/20 0.57
SLC6A3 Q01959 1/20 0.57
LMNA P02545 3/20 0.56
MEN1 O00255 1/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TOP2A P11388 10/20 0.53
TOP2B Q02880 7/20 0.53
POLB P06746 1/20 0.52
XBP1 P17861 1/20 0.52
NFKB1 P19838 1/20 0.52
HTT P42858 1/20 0.52

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
Hydrochloric Acid SCHEMBL9045570 0.99 KMT2A (0.71) KMT2ATOP1GSK3BEPHA2FLT4
SCHEMBL10530683 0.90 LMNA (0.69) KMT2ATOP1GSK3BLMNAMEN1
Hydrochloric Acid SCHEMBL10528341 0.90 LMNA (0.70) KMT2ATOP1GSK3BLMNAMEN1
SCHEMBL17359841 0.89 LMNA (0.59) KMT2ATOP1GSK3BEPHA2FLT4
SCHEMBL10530660 0.87 TOP1 (0.68) KMT2ATOP1LMNAMEN1KDM4E
SCHEMBL8138991 0.87 KMT2A (0.59) KMT2ATOP1GSK3BLMNAMEN1
SCHEMBL8925616 0.87 KMT2A (0.56) KMT2ATOP1GSK3BEPHA2FLT4
SCHEMBL8926571 0.87 KMT2A (0.56) KMT2ATOP1GSK3BEPHA2FLT4
SCHEMBL8925611 0.87 KMT2A (0.56) KMT2ATOP1GSK3BEPHA2FLT4
SCHEMBL8137032 0.87 KMT2A (0.59) KMT2ATOP1GSK3BLMNAMEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672600-A Antimicrobial dithiocarbamoyl quinolones THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US disclosed
EP-0360258-B1 Amino acid quinoline and naphthyridine derivatives ABBOTT LAB (US) 1996-08-14 EP disclosed
US-5387748-A Antimicrobial dithiocarbamoyl quinolones PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-02-07 US disclosed
US-5057520-A Water solubility ABBOTT LABORATORIES (US) 1991-10-15 US disclosed
US-5057523-A Water soluble bactericide ABBOTT LABORATORIES (US) 1991-10-15 US disclosed
US-4962112-A 7-(2-methyl-4-aminopyrrolidinyl)naphthryidine and quinoline compounds ABBOTT LABORATORIES (US) 1990-10-09 US disclosed
WO-1990004591-A1 NOVEL ANTIMICROBIAL DITHIOCARBAMOYL QUINOLONES NORWICH EATON PHARMACEUTICALS, INC. (US) 1990-05-03 WO disclosed
EP-0366643-A2 Novel antimicrobial dithiocarbamoyl quinolones Norwich Eaton Pharmaceuticals, Inc. (US) 1990-05-02 EP disclosed
EP-0360258-A2 Amino acid quinoline and naphthyridine derivatives ABBOTT LABORATORIES (US) 1990-03-28 EP disclosed
EP-0302371-A2 7-(2-Methyl-4-aminopyrrolidinyl)naphthyridine and quinoline compounds ABBOTT LABORATORIES (US) 1989-02-08 EP disclosed
EP-0131839-B1 QUINOLINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1989-02-01 EP disclosed
US-4762845-A BACTERICIDES ABBOTT LABORATORIES (US) 1988-08-09 US disclosed
US-4730000-A 7-SUBSTITUTED AMINO-6-FLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACIDS AND ESTERS ABBOTT LABORATORIES (US) 1988-03-08 US disclosed
EP-0131839-A1 Quinoline antibacterial compounds ABBOTT LABORATORIES (US) 1985-01-23 EP disclosed