SCHEMBL22955124

SCHEMBL22955124

CC#Cc1cc(C)c(C2C(=O)CC(C3CN(C(=O)C4CC4)C3)CC2=O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.35
KCNH2 Q12809 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
HDAC2 Q92769 1/20 0.33
HSD11B1 P28845 1/20 0.32
GFER P55789 1/20 0.31
CNR1 P21554 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL22954942 0.90 CNR1 (0.34) GFERCNR1MEN1KMT2A
SCHEMBL22955563 0.87 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22955125 0.84 ALDH1A1 (0.30)
SCHEMBL22954948 0.83
SCHEMBL22954943 0.81 IRAK4 (0.34) MEN1KMT2A
SCHEMBL22955567 0.81 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22955121 0.81 CSNK1D (0.32)
SCHEMBL22954995 0.81 HTR2A (0.33)
SCHEMBL22955446 0.81 SLC9A1 (0.33) KCNH2CNR1
SCHEMBL22954924 0.80 KMT2A (0.36) CNR1MEN1KMT2A

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
WO-2021018833-A1 CYCLOHEXANEDIONES AS HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-02-04 WO disclosed