SCHEMBL15047711

SCHEMBL15047711

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
IGF1R P08069 1/20 0.30
ELANE P08246 1/20 0.30
HDAC1 Q13547 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
SCHEMBL15047757 0.90 CNR2 (0.30) KMT2AMEN1
SCHEMBL15047737 0.88 LMNA (0.30) HDAC1
SCHEMBL15047710 0.87 MAPT (0.35) KMT2AMEN1NPSR1
SCHEMBL12782269 0.87 MAPT (0.35) KMT2AMEN1NPSR1
SCHEMBL3304049 0.83 CA12 (0.38) HDAC1
SCHEMBL13390599 0.80 TP53 (0.36) KMT2AMEN1ELANE
SCHEMBL2638022 0.78 KMT2A (0.35) KMT2AMEN1
SCHEMBL15030000 0.78 SMN1; SMN2 (0.37) KMT2AMEN1
SCHEMBL15047756 0.78 SMN1; SMN2 (0.37) KMT2AMEN1
SCHEMBL12782264 0.78 P2RX3 (0.33) KMT2AMEN1NPSR1HDAC1

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