SCHEMBL9151682

SCHEMBL9151682

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.55
TOP2B Q02880 8/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GSK3B P49841 8/20 0.53
CACNA1F O60840 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
CACNA1D Q01668 1/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51

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
SCHEMBL9149448 0.88 TOP2A (0.58) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9145544 0.85 TOP2A (0.61) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9728366 0.85 GSK3B (0.58) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9152025 0.85 TOP2A (0.55) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL1349005 0.83 TOP2A (0.58) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL8785054 0.83 TOP2A (0.53) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL8097562 0.82 MEN1 (0.57) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9416446 0.82 TOP2A (0.40) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL1344780 0.81 MEN1 (0.68) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL8324772 0.80 TOP2A (0.64) TOP2ATOP2BGSK3BPOLBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5457104-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1995-10-10 US disclosed
EP-0607825-A1 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents BAYER AG (DE) 1994-07-27 EP disclosed