SCHEMBL9149448

SCHEMBL9149448

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.58
TOP2B Q02880 8/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
GSK3B P49841 8/20 0.56
CACNA1F O60840 1/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
CACNA1D Q01668 1/20 0.54
KCNH2 Q12809 1/20 0.54
CACNA1S Q13698 1/20 0.54
CACNA1C Q13936 1/20 0.54

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
SCHEMBL1349005 0.89 TOP2A (0.58) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9152025 0.88 TOP2A (0.55) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9266645 0.88 TOP2A (0.47) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9728366 0.88 GSK3B (0.58) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9145544 0.88 TOP2A (0.61) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9151682 0.88 TOP2A (0.55) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL8785054 0.86 TOP2A (0.53) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL8784501 0.85 TOP2A (0.49) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL1344780 0.85 MEN1 (0.68) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9148194 0.82 ADRB2 (0.55) TOP2ATOP2BMEN1KMT2AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607825-A1 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents BAYER AG (DE) 1994-07-27 EP claimed
EP-0200307-A1 Improved process for production of quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-11-05 EP claimed
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
EP-0200307-A1 Improved process for production of quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-11-05 EP disclosed