SCHEMBL19729348

SCHEMBL19729348

Bc1c(N2CC(C)(N)C2)c(F)cc2c(=O)c(C(=O)OCC)cn(-c3cc(N)c(F)cc3COC(C)=O)c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.40
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.34
TOP2A P11388 6/20 0.33
TOP1 P11387 5/20 0.33
HTT P42858 1/20 0.33
ADRB2 P07550 1/20 0.33
TOP2B Q02880 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
SCHEMBL19729066 0.93 STAT3 (0.38) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL19729304 0.91 STAT3 (0.40) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL19729349 0.91 STAT3 (0.40) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL19728348 0.88 TOP2A (0.46) ALDH1A1TOP2ATOP1TOP2B
SCHEMBL19729059 0.87 STAT3 (0.47) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL19728717 0.86 STAT3 (0.38) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL19728735 0.86 STAT3 (0.38) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL19729071 0.84 STAT3 (0.38) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL19729372 0.84 STAT3 (0.38) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL19728798 0.83 STAT3 (0.55) STAT3KDM4EHPGDALDH1A1HSD17B10

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