SCHEMBL19728347

SCHEMBL19728347

Bc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(-c3cc([N+](=O)[O-])c(F)cc3COC(C)=O)c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.47
PIM1 P11309 3/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
STAT3 P40763 2/20 0.35
TOP2A P11388 4/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
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
SCHEMBL19728714 0.91 STAT3 (0.47) TOP1PIM1KDM4EPOLBALDH1A1
SCHEMBL20912561 0.91 TOP1 (0.48) TOP1PIM1KDM4EPOLBALDH1A1
SCHEMBL20912565 0.90 TOP1 (0.47) TOP1PIM1KDM4EPOLBALDH1A1
SCHEMBL19728643 0.84 STAT3 (0.54) TOP1KDM4EPOLBALDH1A1HSP90AA1
SCHEMBL20912560 0.82 STAT3 (0.48) TOP1PIM1KDM4EPOLBALDH1A1
SCHEMBL20912629 0.81 STAT3 (0.47) TOP1KDM4EPOLBALDH1A1HSP90AA1
SCHEMBL19728743 0.81 STAT3 (0.47) TOP1KDM4EPOLBALDH1A1HSP90AA1
SCHEMBL19729059 0.77 STAT3 (0.47) TOP1PIM1KDM4EALDH1A1STAT3
SCHEMBL19729388 0.76 ALDH1A1 (0.50) PIM1KDM4EPOLBALDH1A1HSP90AA1
SCHEMBL7009332 0.76 TOP1 (0.58) TOP1PIM1KDM4EPOLBALDH1A1

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