SCHEMBL2711076

SCHEMBL2711076

COC(=O)c1cc(C(=O)OC(=O)C(F)(F)F)cc(N(C)S(C)(=O)=O)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SDHB P21912 2/20 0.32
MAPT P10636 1/20 0.32
BACE1 P56817 5/20 0.31
NOTUM Q6P988 1/20 0.31
PTK2 Q05397 1/20 0.31
NQO2 P16083 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL2711071 0.85 KMT2A (0.36) KMT2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL2712407 0.82 KMT2A (0.37) KMT2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL6468199 0.81 KMT2A (0.40) KMT2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL2709690 0.76 ALDH1A1 (0.55) KMT2AKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL2018841 0.72 KDM4E (0.42) KMT2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL3855487 0.68 KDM4E (0.39) KMT2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL2727661 0.68 GLRA3 (0.43) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL3863182 0.67 BACE1 (0.41) KMT2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL3510503 0.66 ALOX15 (0.44) KMT2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL3854398 0.65 BACE1 (0.38) KMT2AKDM4EALDH1A1L3MBTL1MEN1

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-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed