SCHEMBL532600

SCHEMBL532600

C[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)C(N)=S)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 2/20 0.36
POLB P06746 2/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
AKT1 P31749 1/20 0.34

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
SCHEMBL531745 0.78 MEN1 (0.41) MEN1KMT2AKDM4EATMPOLB
SCHEMBL531473 0.78 MEN1 (0.41) MEN1KMT2AKDM4EATMPOLB
SCHEMBL2391342 0.78 KMT2A (0.41) MEN1KMT2AKDM4EATMPOLB
SCHEMBL3336723 0.76 MEN1 (0.39) MEN1KMT2AKDM4EATMPOLB
SCHEMBL3333078 0.76 MEN1 (0.39) MEN1KMT2AKDM4EATMPOLB
SCHEMBL531534 0.73 MEN1 (0.37) MEN1KMT2AATMPOLBALDH1A1
SCHEMBL532201 0.73 CYP1A2 (0.38) MEN1KMT2AATM
SCHEMBL347827 0.72 MEN1 (0.54) MEN1KMT2AKDM4EATMPOLB
SCHEMBL532131 0.72 MEN1 (0.36) MEN1KMT2AGAAATMPOLB
SCHEMBL532611 0.72 NPSR1 (0.37) MEN1KMT2AKDM4EATMALDH1A1

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
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed