SCHEMBL9757213

SCHEMBL9757213

O=C(O)c1cn(-c2ccc(F)cc2F)c2c(F)c(N3Cc4ccccc4C3)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.51
HSP90AA1 P07900 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
EPHA2 P29317 1/20 0.49
FLT4 P35916 1/20 0.49
GSK3B P49841 1/20 0.49
RARB P10826 1/20 0.49
TBXAS1 P24557 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TOP2A P11388 10/20 0.48
TOP1 P11387 3/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
TOP2B Q02880 8/20 0.47
XBP1 P17861 1/20 0.47

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
SCHEMBL9757174 0.92 KDM4E (0.47) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL9757441 0.90 KDM4E (0.47) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL9757662 0.90 KDM4E (0.47) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL9757418 0.90 TOP1 (0.55) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL9757316 0.89 KDM4E (0.45) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL9757241 0.89 HPGD (0.46) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL9757156 0.89 TOP2A (0.47) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL9757262 0.89 KDM4E (0.45) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL9757188 0.88 HPGD (0.55) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL9757315 0.87 KDM4E (0.45) HPGDHSD17B10KDM4EALDH1A1POLB

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
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed