SCHEMBL9757344

SCHEMBL9757344

O=C(O)c1cn(C2CC2)c2c(F)c(N3Cc4ccccc4C3)c(F)c(F)c2c1=O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
KCNH2 Q12809 2/20 0.58
CACNA1F O60840 1/20 0.58
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58
CACNA1D Q01668 1/20 0.58
CACNA1S Q13698 1/20 0.58
CACNA1C Q13936 1/20 0.58
TOP2A P11388 4/20 0.55
TOP2B Q02880 4/20 0.55
GSK3B P49841 11/20 0.50
STAT3 P40763 1/20 0.45
HRH3 Q9Y5N1 1/20 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
SCHEMBL9757458 0.91 CACNA1F (0.69) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9757290 0.90 MEN1 (0.62) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9757286 0.90 MEN1 (0.64) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9757505 0.88 MEN1 (0.60) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9757471 0.88 MEN1 (0.59) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9757432 0.85 GSK3B (0.56) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL6712892 0.84 MEN1 (0.71) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL10679862 0.84 MEN1 (0.74) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9692658 0.84 MEN1 (0.70) MEN1KMT2AKCNH2CACNA1FPOLB
Hydrochloric Acid SCHEMBL9693002 0.84 MEN1 (0.67) 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 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