SCHEMBL9512927

SCHEMBL9512927

O=CCn1cc(OC(=O)O)c(=O)c2cc(F)c(F)c(F)c21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.37
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PMP22 Q01453 1/20 0.33
TOP1 P11387 1/20 0.31
TOP2A P11388 1/20 0.30
TOP2B Q02880 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
SCHEMBL6217745 0.85 KDM4E (0.45) STAT3KDM4EKMT2AALDH1A1POLB
SCHEMBL9512924 0.84 KDM4E (0.51) STAT3KDM4EKMT2AALDH1A1POLB
SCHEMBL6213206 0.81 KDM4E (0.38) STAT3KDM4EKMT2AALDH1A1POLB
SCHEMBL9513060 0.76 STAT3 (0.36) STAT3KDM4EKMT2AALDH1A1POLB
SCHEMBL6214790 0.76 KDM4E (0.49) STAT3KDM4EKMT2AALDH1A1POLB
SCHEMBL11259437 0.76 KDM4E (0.44) STAT3KDM4EKMT2AALDH1A1POLB
SCHEMBL6213036 0.75 STAT3 (0.38) STAT3KDM4EKMT2AALDH1A1POLB
SCHEMBL6212721 0.75 STAT3 (0.38) STAT3KDM4EKMT2AALDH1A1POLB
SCHEMBL8136263 0.75 TOP2A (0.45) STAT3KDM4EKMT2AALDH1A1POLB
SCHEMBL11261125 0.75 KDM4E (0.50) STAT3KDM4EKMT2AALDH1A1HPGD

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-0563733-A1 Use of 7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxacin-6-carboxylic acid- and esters for the manufacture of a medicament for the treatment of viral diseases BAYER AG (DE) 1993-10-06 EP disclosed
EP-0563732-A1 7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazinecarboxylic acids and esters and their use as antiviral agents BAYER AG (DE) 1993-10-06 EP disclosed