SCHEMBL9757286

SCHEMBL9757286

O=C(O)c1cn(C2CC2)c2c(F)c(N3Cc4ccc(F)cc4C3)c(F)c(F)c2c1=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
KCNH2 Q12809 2/20 0.55
CACNA1F O60840 1/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
CACNA1D Q01668 1/20 0.55
CACNA1S Q13698 1/20 0.55
CACNA1C Q13936 1/20 0.55
TOP2A P11388 7/20 0.54
TOP2B Q02880 7/20 0.54
GSK3B P49841 6/20 0.47
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
STAT3 P40763 1/20 0.42

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
SCHEMBL9757244 0.91 CACNA1F (0.65) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9757344 0.90 MEN1 (0.69) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9757274 0.85 TOP2A (0.57) KCNH2POLBTOP2ATOP2BKDM4E
SCHEMBL9757257 0.83 CACNA1F (0.65) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9757290 0.82 MEN1 (0.62) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9757471 0.82 MEN1 (0.59) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9757314 0.82 CACNA1F (0.62) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9757155 0.82 CACNA1F (0.62) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9757365 0.81 CACNA1F (0.61) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL6712892 0.81 MEN1 (0.71) MEN1KMT2AKCNH2CACNA1FPOLB

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