SCHEMBL17613702

SCHEMBL17613702

NCCC(=O)SCOCCO

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IDO1 P14902 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL17613666 0.82 TSHR (0.39) TSHRMAPK1MEN1KMT2AKDM4E
SCHEMBL17613728 0.78
SCHEMBL17613686 0.76 DNM1 (0.34) TSHRMAPK1MEN1KMT2AKDM4E
SCHEMBL17613698 0.75 TSHR (0.43) TSHRMAPK1MEN1KMT2AKDM4E
SCHEMBL17613692 0.73 TSHR (0.36) TSHRMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL17613731 0.72 THRA (0.31) KDM4ESMN1; SMN2
SCHEMBL17613610 0.68 ALDH1A1 (0.31) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL17613689 0.67 KDM4E (0.35) KDM4ESMN1; SMN2GAA
Di(Hydroxyethyl)Ether SCHEMBL11310542 0.67 TSHR (0.77) TSHRMAPK1MEN1KMT2AGAA
Di(Hydroxyethyl)Ether SCHEMBL28993299 0.67 TSHR (0.77) TSHRMAPK1MEN1KMT2AGAA

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-2346883-B1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2016-03-23 EP disclosed