SCHEMBL9416465

SCHEMBL9416465

O=C(O)Oc1cn(C2CC2)c2c(F)c(F)cc(F)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 8/20 0.42
▸ TOP2B Q02880 8/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GSK3B P49841 4/20 0.38
▸ POLB P06746 3/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ CACNA1F O60840 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CACNA1D Q01668 1/20 0.37
▸ CACNA1S Q13698 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL9416446 0.89 TOP2A (0.40) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9416473 0.89 TOP2A (0.40) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9416480 0.89 TOP2A (0.43) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL8785059 0.87 TOP2A (0.39) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL8784506 0.86 TOP2A (0.37) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL6216986 0.86 MEN1 (0.46) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL10757399 0.82 KCNH2 (0.39) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL6216507 0.82 TOP2A (0.39) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL6213861 0.82 TOP2A (0.52) TOP2ATOP2BGSK3BPOLBKCNH2
SCHEMBL9047018 0.81 TOP2A (0.42) 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 2 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-0607825-A1 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents BAYER AG (DE) 1994-07-27 — — EP disclosed
Send feedback