SCHEMBL15501039

SCHEMBL15501039

CC(C)(C)OC(=O)CC[C@@H](NC(=O)N[C@H](CCC(=O)N[C@@H](CCCCN(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)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.32
TDP1 Q9NUW8 2/20 0.32
FOLH1 Q04609 1/20 0.31
ATM Q13315 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL2831636 0.97 FOLH1 (0.35) FPR2TDP1FOLH1
SCHEMBL17690558 0.97 FOLH1 (0.35) FPR2TDP1FOLH1
SCHEMBL13237046 0.95 FOLH1 (0.36) FOLH1
SCHEMBL13287694 0.93 CTSK (0.31)
SCHEMBL17685197 0.93 FOLH1 (0.30) FOLH1
SCHEMBL17685198 0.92
SCHEMBL2832354 0.92 SIRT2 (0.37) TDP1FOLH1ATMMEN1KMT2A
SCHEMBL11936778 0.91
SCHEMBL2835915 0.89 FOLH1 (0.36) FPR2TDP1FOLH1MEN1KMT2A
SCHEMBL1742288 0.89 TDP1 (0.34) TDP1FOLH1ATMMEN1KMT2A

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
EP-2706057-A1 Bis(imidazolyl)compounds and radionuclide complexes Molecular Insight Pharmaceuticals, Inc. (US) 2014-03-12 EP disclosed