SCHEMBL9047223

SCHEMBL9047223

O=C(O)Oc1cn(C2CC2F)c2c(F)c(F)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.38
TOP2B Q02880 8/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
HSP90AA1 P07900 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
STAT3 P40763 2/20 0.34
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
CYP3A4 P08684 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL7607385 1.00 TOP2A (0.38) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL9236365 1.00 TOP2A (0.38) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL8137975 0.90 TOP2A (0.33) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL9237985 0.90 TOP2A (0.33) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL8133058 0.90 TOP2A (0.37) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL9236242 0.90 TOP2A (0.37) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL9044990 0.90 ALDH1A1 (0.39) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL8138663 0.90 TOP2A (0.34) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL5278404 0.90 ALDH1A1 (0.39) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL9238604 0.90 ALDH1A1 (0.39) TOP2ATOP2BKDM4EALDH1A1POLB

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-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP disclosed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP disclosed