SCHEMBL9688711

SCHEMBL9688711

COc1c(F)c(F)c(C(F)(F)F)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GSK3B P49841 7/20 0.49
KCNH2 Q12809 6/20 0.48
POLB P06746 2/20 0.48
CACNA1F O60840 1/20 0.48
MAPK1 P28482 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
PRKD3 O94806 1/20 0.48
ALOX15 P16050 1/20 0.48
OPRM1 P35372 1/20 0.48
CLK2 P49760 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL9377798 0.88 MEN1 (0.56) MEN1KMT2AGSK3BKCNH2POLB
SCHEMBL9689368 0.84 MEN1 (0.53) MEN1KMT2AGSK3BKCNH2POLB
SCHEMBL9688241 0.84 MEN1 (0.51) MEN1KMT2AGSK3BKCNH2POLB
SCHEMBL9688634 0.84 MEN1 (0.53) MEN1KMT2AGSK3BKCNH2POLB
SCHEMBL9687739 0.83 CACNA1F (0.61) MEN1KMT2AGSK3BKCNH2POLB
SCHEMBL9741615 0.83 GSK3B (0.53) MEN1KMT2AGSK3BKCNH2POLB
SCHEMBL3808002 0.81 GSK3B (0.53) MEN1KMT2AGSK3BKCNH2POLB
SCHEMBL500863 0.80 GSK3B (0.64) MEN1KMT2AGSK3BKCNH2POLB
Fluoride SCHEMBL5146004 0.79 GSK3B (0.51) MEN1KMT2AGSK3BKCNH2POLB
SCHEMBL1344979 0.79 GSK3B (0.51) MEN1KMT2AGSK3BKCNH2POLB

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