SCHEMBL13633662

SCHEMBL13633662

CCOc1ccccc1-n1c(C(C)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc2ccccc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VDAC2 P45880 1/20 0.79
SLC7A11 Q9UPY5 1/20 0.79
HIF1A Q16665 10/20 0.62
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
HTR7 P34969 3/20 0.47
MGLL Q99685 1/20 0.46
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44

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
SCHEMBL13633700 0.93 VDAC2 (0.68) VDAC2SLC7A11HIF1ASMN1; SMN2NPSR1
SCHEMBL13633697 0.93 VDAC2 (0.68) VDAC2SLC7A11HIF1ASMN1; SMN2NPSR1
SCHEMBL13633727 0.92 VDAC2 (0.67) VDAC2SLC7A11HIF1ASMN1; SMN2NPSR1
SCHEMBL13751484 0.92 VDAC2 (0.67) VDAC2SLC7A11HIF1ASMN1; SMN2NPSR1
SCHEMBL27256133 0.91 VDAC2 (0.70) VDAC2SLC7A11HIF1ASMN1; SMN2NPSR1
SCHEMBL13633741 0.89 VDAC2 (0.63) VDAC2SLC7A11HIF1ASMN1; SMN2NPSR1
SCHEMBL13633724 0.89 VDAC2 (0.63) VDAC2SLC7A11HIF1ASMN1; SMN2NPSR1
SCHEMBL13633596 0.89 VDAC2 (0.72) VDAC2SLC7A11HIF1ASMN1; SMN2NPSR1
Erastin SCHEMBL22213543 0.88 SLC7A11 (1.00) VDAC2SLC7A11HIF1ALMNA
Erastin SCHEMBL4457820 0.88 SLC7A11 (1.00) VDAC2SLC7A11HIF1ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615554-B2 Erastin and erastin binding proteins, and uses thereof PROLEXYS PHARMACEUTICALS, INC. (US) 2009-11-10 US disclosed
US-7615554-B2 Erastin and erastin binding proteins, and uses thereof PROLEXYS PHARMACEUTICALS, INC. (US) 2009-11-10 US disclosed