SCHEMBL8397751

SCHEMBL8397751

O=C(O)CCC(=O)NC(=O)N1C=CC=CC=N1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 5/20 0.33
KDM2A Q9Y2K7 5/20 0.33
KDM4E B2RXH2 3/20 0.33
KDM5C P41229 3/20 0.33
EGLN1 Q9GZT9 2/20 0.33
KDM6B O15054 1/20 0.33
FOLH1 Q04609 1/20 0.33
BCHE P06276 1/20 0.32
KDM7A Q6ZMT4 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
SCHEMBL8397757 0.70
SCHEMBL1117822 0.69
Water SCHEMBL8221742 0.68
SCHEMBL7342409 0.67 RAB9A (0.30)
SCHEMBL2801118 0.64
Water SCHEMBL7805742 0.63
SCHEMBL11098112 0.62
SCHEMBL4977396 0.60 PHF8 (0.57) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL28461081 0.60 PHF8 (0.57) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL4977586 0.57 PHF8 (0.52) PHF8KDM2AKDM4EKDM5CEGLN1

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-5874424-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-02-23 US disclosed