SCHEMBL9231645

SCHEMBL9231645

C=Cc1c(F)c(N2CC3CC2CN3C)c(F)c2c1c(=O)c(OC(=O)O)cn2C1CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KCNH2 Q12809 4/20 0.34
▸ POLB P06746 2/20 0.34
▸ CACNA1F O60840 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CACNA1D Q01668 1/20 0.34
▸ CACNA1S Q13698 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ GSK3B P49841 2/20 0.32
▸ TOP2A P11388 2/20 0.32
▸ TOP2B Q02880 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30

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
SCHEMBL8852463 0.86 MEN1 (0.50) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9233385 0.82 MEN1 (0.43) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8327191 0.82 MEN1 (0.37) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9231288 0.80 POLB (0.47) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9376199 0.80 TOP2A (0.42) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL9234530 0.79 ALDH1A1 (0.42) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9233062 0.76 MEN1 (0.38) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9669417 0.76 ALDH1A1 (0.49) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL9231698 0.76 MEN1 (0.52) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9196441 0.75 KDM4E (0.51) MEN1KMT2AKCNH2POLBGSK3B

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-5587491-A Method for the synthesis of bis-tetrahydrofuranyl Annonaceous acetogenins REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-12-24 — — US disclosed
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