SCHEMBL21473070

SCHEMBL21473070

C=C1CN(CC(C)N2CC(=O)NC(=O)C2)CC(=O)N1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.81
TOP2B Q02880 3/20 0.81
PTGS1 P23219 2/20 0.81
LMNA P02545 1/20 0.81
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
Razoxane SCHEMBL9089 0.90 TOP2A (1.00) TOP2ATOP2BPTGS1LMNAALDH1A1
Dexrazoxane SCHEMBL18400 0.90 TOP2A (1.00) TOP2ATOP2BPTGS1LMNAALDH1A1
Razoxane SCHEMBL3339694 0.90 TOP2A (1.00) TOP2ATOP2BPTGS1LMNAALDH1A1
Dexrazoxane SCHEMBL1586271 0.90 TOP2A (1.00) TOP2ATOP2BPTGS1LMNAALDH1A1
Razoxane SCHEMBL27174203 0.88 TOP2A (0.96) TOP2ATOP2BPTGS1LMNAALDH1A1
Dexrazoxane SCHEMBL18188 0.88 TOP2A (0.96) TOP2ATOP2BPTGS1LMNAALDH1A1
Razoxane SCHEMBL27748349 0.88 TOP2A (0.96) TOP2ATOP2BPTGS1LMNAALDH1A1
Dexrazoxane SCHEMBL18189 0.86 TOP2A (0.93) TOP2ATOP2BPTGS1LMNAALDH1A1
Dexrazoxane SCHEMBL27918475 0.86 TOP2A (0.93) TOP2ATOP2BPTGS1LMNAALDH1A1
Dexrazoxane SCHEMBL28086609 0.85 TOP2A (0.89) TOP2ATOP2BPTGS1LMNAALDH1A1

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-2019200224-A1 SYNERGISTIC DRUG COMBINATIONS PREDICTED FROM GENOMIC FEATURES AND SINGLE-AGENT RESPONSE PROFILES THE BROAD INSTITUTE, INC. (US) 2019-10-17 WO disclosed