SCHEMBL4551548

SCHEMBL4551548

COc1ccc(S(=O)(=O)N2CCC(=O)CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
KCNH2 Q12809 1/20 0.48
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
PKLR P30613 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 4/20 0.44
GCK P35557 1/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 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
SCHEMBL21925711 0.87 POLB (0.59) KMT2AKDM4EGAAHTTPOLB
SCHEMBL22051334 0.78 ALDH1A1 (0.53) KCNH2NPC1PKMPKLRRAB9A
SCHEMBL6036911 0.77 PKM (0.77) KMT2ANPC1PKMPKLRRAB9A
SCHEMBL1359572 0.76 CHRNB2 (0.58) KMT2ANPC1HTTSMN1; SMN2MEN1
SCHEMBL16301360 0.75 KDM4E (0.51) KMT2AKDM4EGAAHTTSMN1; SMN2
Ethylene SCHEMBL8382024 0.75 PKM (0.73) KMT2ANPC1PKMPKLRRAB9A
SCHEMBL6977881 0.74 GPBAR1 (0.73) PKMKDM4EHTTSMN1; SMN2POLB
SCHEMBL22051298 0.73 HTR2B (0.51) KMT2AKCNH2RAB9AGAAHTT
SCHEMBL22050484 0.73 HTR2B (0.51) KMT2AKCNH2RAB9AGAAHTT
SCHEMBL2120289 0.73 KDM4E (0.53) KMT2AKCNH2NPC1KDM4EHTT

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
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed