SCHEMBL9689387

SCHEMBL9689387

O=C(O)c1cn(C2CC2)c2c(Br)c(F)c(F)c(O)c2c1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GSK3B P49841 11/20 0.50
TOP2A P11388 6/20 0.50
TOP2B Q02880 6/20 0.50
CACNA1F O60840 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
CACNA1D Q01668 1/20 0.48
KCNH2 Q12809 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48

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
SCHEMBL6216504 0.88 MEN1 (0.58) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL9687923 0.86 GSK3B (0.63) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL9689460 0.85 MEN1 (0.55) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL8097562 0.85 MEN1 (0.57) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL9689884 0.83 MEN1 (0.53) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL9688241 0.83 MEN1 (0.51) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL9689327 0.83 GSK3B (0.54) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL9688634 0.83 MEN1 (0.53) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL9088549 0.81 MEN1 (0.51) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL9089592 0.80 TOP2A (0.55) MEN1KMT2AGSK3BTOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5097032-A Quinoline- and naphthyridine carboxylic acids, salts WARNER-LAMBERT COMPANY (US) 1992-03-17 US disclosed
EP-0265230-B1 SUBSTITUTED-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDS, DERIVATIVES THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS, AND PROCESSES FOR PRODUCING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-01-08 EP disclosed
EP-0226961-B1 5-AMINO AND 5-HYDROXY-6,8-DIFLUOROQUINOLONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1991-06-12 EP disclosed
US-4977154-A 7-PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1990-12-11 US disclosed
US-4822801-A 4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-04-18 US disclosed
EP-0265230-A1 Substituted-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids, derivatives thereof, pharmaceutical compositions comprising the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1988-04-27 EP disclosed
EP-0226961-A1 5-Amino and 5-hydroxy-6,8-difluoroquinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1987-07-01 EP disclosed