SCHEMBL15047757

SCHEMBL15047757

COC(=O)[C@@]1(C)CSC(c2cccc(OCCI)c2O)=N1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.30
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
SCHEMBL15047711 0.90 KMT2A (0.32) MEN1KMT2A
SCHEMBL15047737 0.89 LMNA (0.30)
SCHEMBL15047756 0.88 SMN1; SMN2 (0.37) CNR2MEN1KMT2A
SCHEMBL15030000 0.88 SMN1; SMN2 (0.37) CNR2MEN1KMT2A
SCHEMBL2638022 0.82 KMT2A (0.35) MEN1KMT2A
SCHEMBL11963453 0.81 KDM4E (0.34) CNR2MEN1KMT2A
SCHEMBL13390599 0.80 TP53 (0.36) CNR2MEN1KMT2A
SCHEMBL15047710 0.79 MAPT (0.35) MEN1KMT2A
SCHEMBL12782269 0.79 MAPT (0.35) MEN1KMT2A
SCHEMBL1271270 0.79 SMN1; SMN2 (0.33) MEN1KMT2A

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-2013090766-A1 USES OF 3'-DESFERRITHIOCIN ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-06-20 WO disclosed