SCHEMBL13638609

SCHEMBL13638609

CCCCCCCCCCCCCC(=O)N1CCN(C(C)c2nc3ccccc3c(=O)n2-c2ccccc2O)CC1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CXCR3 P49682 10/20 0.45
VDAC2 P45880 1/20 0.45
SLC7A11 Q9UPY5 1/20 0.45
CHEK1 O14757 4/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
CACNA2D1 P54289 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL13633593 0.91 VDAC2 (0.49) ALDH1A1CXCR3VDAC2SLC7A11KMT2A
SCHEMBL13633693 0.91 VDAC2 (0.49) ALDH1A1CXCR3VDAC2SLC7A11KMT2A
SCHEMBL13633586 0.91 VDAC2 (0.49) ALDH1A1CXCR3VDAC2SLC7A11KMT2A
SCHEMBL13633710 0.91 VDAC2 (0.49) ALDH1A1CXCR3VDAC2SLC7A11KMT2A
SCHEMBL13633694 0.91 VDAC2 (0.49) ALDH1A1CXCR3VDAC2SLC7A11KMT2A
SCHEMBL13633701 0.90 VDAC2 (0.58) CXCR3VDAC2SLC7A11
SCHEMBL13633734 0.90 VDAC2 (0.50) ALDH1A1CXCR3VDAC2SLC7A11KMT2A
SCHEMBL13633679 0.87 VDAC2 (0.51) ALDH1A1VDAC2SLC7A11KMT2ATP53
SCHEMBL14468481 0.87 VDAC2 (0.56) ALDH1A1CXCR3VDAC2SLC7A11CHEK1
SCHEMBL13633683 0.80 VDAC2 (0.53) ALDH1A1VDAC2SLC7A11KMT2ATP53

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