SCHEMBL7841319

SCHEMBL7841319

O=C(O)Oc1cn(C2CC2)c2c(F)c(Cl)ncc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.41
TOP2B Q02880 9/20 0.41
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
GSK3B P49841 4/20 0.34
PIK3CG P48736 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRB2 P07550 1/20 0.33
TNF P01375 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
LITAF Q99732 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
SCHEMBL7851036 0.88 ALDH1A1 (0.37) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL7503528 0.85 ADRB2 (0.40) TOP2ATOP2BADRB2
SCHEMBL7841318 0.85 TOP2A (0.55) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL6217926 0.81 TOP2A (0.45) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL10915183 0.81 TOP2A (0.43) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL7851458 0.79 ALDH1A1 (0.47) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL6213861 0.79 TOP2A (0.52) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL9044178 0.79 TOP2A (0.47) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL10927140 0.79 TOP2A (0.45) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL7843532 0.78 ADRB2 (0.54) TOP2ATOP2BPOLBKMT2AADRB2

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-0726270-B1 Derivatives of 1,6-naphthyridone carboxylic acids BAYER AG (DE) 2001-05-23 EP disclosed
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 EP disclosed