SCHEMBL9023930

SCHEMBL9023930

CCSCC1CCN(c2c(F)c(F)c3c(=O)c(OC(=O)O)cn(C4CC4)c3c2F)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 9/20 0.42
POLB P06746 3/20 0.40
CACNA1F O60840 1/20 0.40
MAPK1 P28482 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
OPRM1 P35372 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PRKD3 O94806 1/20 0.36
ALOX15 P16050 1/20 0.36
CLK2 P49760 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL9023111 0.91 MEN1 (0.47) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10686712 0.87 KCNH2 (0.55) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10683014 0.87 MEN1 (0.46) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9022960 0.86 MEN1 (0.62) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9023449 0.86 KCNH2 (0.53) KCNH2POLBTOP2ATOP2BALDH1A1
Hydrochloric Acid SCHEMBL10686219 0.86 MEN1 (0.46) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10679688 0.83 MEN1 (0.45) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10686013 0.83 MEN1 (0.52) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9023446 0.83 KMT2A (0.37) KMT2AKCNH2POLBTOP2AALDH1A1
SCHEMBL10509377 0.82 MEN1 (0.51) MEN1KMT2AKCNH2POLBCACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500835-B1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE DAE WOONG PHARMA (KR) 1996-12-27 EP claimed