SCHEMBL13339088

SCHEMBL13339088

C=C(N[C@@H](CCCCNC(=O)CCCCCCCCCCN(Cc1nccn1CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)Cc1nccn1CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.36
TDP1 Q9NUW8 6/20 0.34
NPSR1 Q6W5P4 7/20 0.34
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
POLB P06746 5/20 0.34
ATM Q13315 2/20 0.33
FOLH1 Q04609 1/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 1/20 0.31
PAX8 Q06710 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2832354 0.95 SIRT2 (0.37) SIRT2TDP1NPSR1MEN1KMT2A
SCHEMBL13287535 0.93 SIRT2 (0.36) SIRT2TDP1NPSR1MEN1KMT2A
SCHEMBL16580122 0.90 FOLH1 (0.38) SIRT2MEN1KMT2AFOLH1
SCHEMBL2495998 0.87 FOLH1 (0.38) SIRT2TDP1NPSR1MEN1KMT2A
SCHEMBL17997540 0.87 FOLH1 (0.33) SIRT2TDP1NPSR1MEN1KMT2A
SCHEMBL14674925 0.86 FOLH1 (0.34) SIRT2TDP1MEN1KMT2APOLB
SCHEMBL15501039 0.86 FPR2 (0.32) TDP1MEN1KMT2AATMFOLH1
SCHEMBL9982656 0.86 FOLH1 (0.47) FOLH1
SCHEMBL1742288 0.85 TDP1 (0.34) TDP1NPSR1MEN1KMT2APOLB
SCHEMBL2830839 0.84 FOLH1 (0.41) SIRT2TDP1NPSR1MEN1KMT2A

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-2010065899-A2 TECHNETIUM-AND RHENIUM-BIS(HETEROARYL)COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed