SCHEMBL8136263

SCHEMBL8136263

CC(C)(C)n1cc(OC(=O)O)c(=O)c2cc(F)c(F)c(F)c21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.45
TOP2B Q02880 7/20 0.45
STAT3 P40763 3/20 0.38
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TOP1 P11387 1/20 0.32
HPGD P15428 3/20 0.31
HSD17B10 Q99714 3/20 0.31
KMT2A Q03164 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL8136260 0.83 TOP2A (0.53) TOP2ATOP2BSTAT3KDM4EALDH1A1
SCHEMBL7498887 0.82 KMT2A (0.38) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL6213206 0.80 KDM4E (0.38) TOP2ATOP2BSTAT3KDM4EALDH1A1
SCHEMBL6217745 0.80 KDM4E (0.45) STAT3KDM4EALDH1A1POLBHSP90AA1
SCHEMBL6213036 0.80 STAT3 (0.38) TOP2ATOP2BSTAT3KDM4EALDH1A1
SCHEMBL6212721 0.80 STAT3 (0.38) TOP2ATOP2BSTAT3KDM4EALDH1A1
SCHEMBL6214790 0.78 KDM4E (0.49) STAT3KDM4EALDH1A1POLBHSP90AA1
SCHEMBL501244 0.78 STAT3 (0.59) TOP2ATOP2BSTAT3KDM4EALDH1A1
SCHEMBL10913630 0.77 ALDH1A1 (0.48) STAT3KDM4EALDH1A1POLBHSP90AA1
SCHEMBL6213861 0.76 TOP2A (0.52) 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-0401623-B1 Process for the preparation of 7-(3-amino- and 3-aminomethyl-1-pyrrolidinyl)-3-quinolinonecarboxylic and -naphthyridinonecarboxylic acids BAYER AG (DE) 2000-01-26 EP disclosed
EP-0401623-A1 Process for the preparation of 7-(3-amino- and 3-aminomethyl-1-pyrrolidinyl)-3-quinolinonecarboxylic and -naphthyridinonecarboxylic acids BAYER AG (DE) 1990-12-12 EP disclosed