SCHEMBL14337086

SCHEMBL14337086

COC(=O)C(=[N+]=[N-])C(=O)N(C)C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2471546 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL3536872 0.74 ALDH1A1 (0.40) ALDH1A1
SCHEMBL31619417 0.70 ALDH1A1 (0.35) ALDH1A1
SCHEMBL23391871 0.68 MGAM (0.39) ALDH1A1
SCHEMBL21594961 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL884967 0.65 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28746307 0.65 ALDH1A1 (0.31) ALDH1A1
SCHEMBL15760653 0.65
SCHEMBL4574336 0.64 ALDH1A1 (0.50) ALDH1A1
SCHEMBL19677667 0.64 EGLN1 (0.38) ALDH1A1

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-7304092-B1 Compounds and methods for treating tumors, cancer and hyperproliferative diseases YALE UNIVERSITY (US) 2007-12-04 US disclosed