SCHEMBL15047737

SCHEMBL15047737

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

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LMNA P02545 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
SCHEMBL13390599 0.90 TP53 (0.36)
SCHEMBL15047757 0.89 CNR2 (0.30)
SCHEMBL11963453 0.89 KDM4E (0.34) LMNA
SCHEMBL15047711 0.88 KMT2A (0.32) HDAC1
SCHEMBL1317324 0.86 KMT2A (0.37) LMNA
SCHEMBL11963290 0.86 KMT2A (0.37) LMNA
SCHEMBL11963333 0.86 KMT2A (0.37) LMNA
Deferitazole SCHEMBL17209568 0.86 KMT2A (0.37) LMNA
Deferitazole SCHEMBL1270379 0.86 KMT2A (0.37) LMNA
SCHEMBL1314947 0.86 KMT2A (0.37) LMNA

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