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SCHEMBL19728348

SCHEMBL19728348

Bc1c(N2CCC(N)C2)c(F)cc2c(=O)c(C(=O)OCC)cn(-c3cc(N)c(F)cc3COC(C)=O)c12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 15/20 0.46
▸ TOP1 P11387 4/20 0.46
▸ TOP2B Q02880 10/20 0.46
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41

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
SCHEMBL19728645 0.94 TOP2A (0.48) TOP2ATOP1TOP2BALDH1A1POLB
SCHEMBL19728770 0.91 ALDH1A1 (0.49) TOP2ATOP1TOP2BALDH1A1POLB
SCHEMBL20912606 0.91 TOP2A (0.48) TOP2ATOP1TOP2BALDH1A1POLB
SCHEMBL19729348 0.88 STAT3 (0.40) TOP2ATOP1TOP2BALDH1A1
SCHEMBL19728735 0.87 STAT3 (0.38) TOP2ATOP1TOP2BALDH1A1
SCHEMBL19728717 0.87 STAT3 (0.38) TOP2ATOP1TOP2BALDH1A1
SCHEMBL19728792 0.85 KDM4E (0.47) TOP2ATOP1TOP2BALDH1A1
SCHEMBL19728789 0.85 KDM4E (0.47) TOP2ATOP1TOP2BALDH1A1
SCHEMBL19729066 0.85 STAT3 (0.38) TOP2ATOP1TOP2BALDH1A1
SCHEMBL19729059 0.85 STAT3 (0.47) TOP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017217441-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF 湧永製薬株式会社 2017-12-21 — — WO disclosed