SCHEMBL9757359

SCHEMBL9757359

COC(=O)c1ccc2c(c1)CN(c1c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c1F)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.47
HSP90AA1 P07900 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
XBP1 P17861 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
EPHA2 P29317 1/20 0.43
FLT4 P35916 1/20 0.43
GSK3B P49841 1/20 0.43
RARB P10826 1/20 0.43
TBXAS1 P24557 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TOP1 P11387 5/20 0.43

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
SCHEMBL9757467 0.90 KDM4E (0.48) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9757213 0.87 HPGD (0.51) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9757441 0.86 KDM4E (0.47) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9757662 0.86 KDM4E (0.47) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9757418 0.86 TOP1 (0.55) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9757315 0.85 KDM4E (0.45) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9757355 0.83 KDM4E (0.44) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9757390 0.83 KDM4E (0.55) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9757262 0.82 KDM4E (0.45) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9757174 0.81 KDM4E (0.47) KDM4EALDH1A1POLBHSP90AA1RXFP1

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
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed