SCHEMBL9688753

SCHEMBL9688753

CN(C)c1c(F)c(F)c(F)c2c1c(=O)cc(C(=O)O)n2C1CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.34
TOP2B Q02880 5/20 0.34
NOTUM Q6P988 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CACNA1F O60840 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
CACNA1D Q01668 1/20 0.30
KCNH2 Q12809 1/20 0.30
CACNA1S Q13698 1/20 0.30
CACNA1C Q13936 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL27741279 0.86 TOP2A (0.37) TOP2ATOP2BNOTUMMEN1KMT2A
SCHEMBL8741056 0.81 TOP2A (0.40) TOP2ATOP2BNOTUMCACNA1FPOLB
SCHEMBL9564474 0.73 KDM4E (0.39) TOP2ATOP2BMEN1KMT2ACACNA1F
SCHEMBL8096676 0.73 TOP2A (0.47) TOP2ATOP2BNOTUMPOLBALDH1A1
SCHEMBL3138685 0.71 TOP2A (0.35) TOP2ATOP2BNOTUMMEN1KMT2A
SCHEMBL9378534 0.71 MEN1 (0.59) TOP2ATOP2BMEN1KMT2ACACNA1F
SCHEMBL1345175 0.71 STAT3 (0.44) TOP2ATOP2BKMT2AMAPK1ALDH1A1
SCHEMBL10700307 0.71 TOP2A (0.38) TOP2ATOP2BNOTUMCACNA1FPOLB
SCHEMBL3129868 0.70 CYP11B2 (0.39) TOP2ATOP2BNOTUMKCNH2
SCHEMBL3136241 0.70 TOP2A (0.47) TOP2ATOP2BNOTUMKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4771055-A BACTERICIDES WARNER-LAMBERT COMPANY (US) 1988-09-13 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