SCHEMBL9688634

SCHEMBL9688634

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KCNH2 Q12809 2/20 0.49
CACNA1F O60840 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
GSK3B P49841 11/20 0.48
TOP2A P11388 5/20 0.48
TOP2B Q02880 5/20 0.48
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL9687739 0.87 CACNA1F (0.61) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL6216504 0.86 MEN1 (0.58) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9688711 0.84 MEN1 (0.52) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9741615 0.84 GSK3B (0.53) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9689460 0.83 MEN1 (0.55) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9689387 0.83 MEN1 (0.52) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL8784501 0.82 TOP2A (0.49) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL8061657 0.79 TOP2A (0.61) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL9688213 0.78 GSK3B (0.64) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9089592 0.78 TOP2A (0.55) MEN1KMT2AKCNH2CACNA1FPOLB

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 4 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
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