SCHEMBL9757546

SCHEMBL9757546

COc1cccc2c1CN(c1c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c1F)C2

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
KCNH2 Q12809 4/20 0.52
HPGD P15428 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
POLB P06746 1/20 0.52
PRKD3 O94806 1/20 0.52
ALOX15 P16050 1/20 0.52
OPRM1 P35372 1/20 0.52
CLK2 P49760 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TOP2A P11388 6/20 0.52
TOP2B Q02880 6/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GSK3B P49841 2/20 0.49
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL9757334 0.90 TOP2A (0.56) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL9757349 0.89 TOP2A (0.56) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL9757256 0.88 TOP2A (0.53) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL8093551 0.88 TOP2A (0.53) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL9757337 0.88 TOP2A (0.53) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL8094873 0.87 TOP2A (0.60) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL9757471 0.87 MEN1 (0.59) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL9757384 0.86 TOP2A (0.52) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL9757502 0.85 KCNH2 (0.53) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL9757121 0.85 KCNH2 (0.54) KDM4EKCNH2HPGDALDH1A1HSD17B10

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