SCHEMBL21781789

SCHEMBL21781789

COC(=O)C1CCN(C(=O)COCCOCC(=O)NC(C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(CN)cc2)C(C)C)C(C)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 3/20 0.35
KLKB1 P03952 3/20 0.34
FURIN P09958 6/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
FAP Q12884 1/20 0.32
C3AR1 Q16581 1/20 0.32
AKT1 P31749 2/20 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
SCHEMBL22068135 1.00 MAP1LC3B (0.35) MAP1LC3BKLKB1FURINMEN1KMT2A
SCHEMBL22068484 0.95 KLKB1 (0.34) MAP1LC3BKLKB1FURINMEN1KMT2A
SCHEMBL22068138 0.94 KLKB1 (0.34) MAP1LC3BKLKB1FURINTP53FAP
SCHEMBL21781788 0.94 FURIN (0.34) MAP1LC3BKLKB1FURINMEN1KMT2A
SCHEMBL22068550 0.91 MAP1LC3B (0.37) MAP1LC3BKLKB1FURINMEN1KMT2A
SCHEMBL22068547 0.86 MAP1LC3B (0.36) MAP1LC3BKLKB1FURINTP53FAP
SCHEMBL30988377 0.80 FURIN (0.42) FURINC3AR1
SCHEMBL30988360 0.80 MAP1LC3B (0.35) MAP1LC3BKLKB1FURINTP53FAP
SCHEMBL30988380 0.80 MAP1LC3B (0.35) MAP1LC3BKLKB1FURINMEN1KMT2A
SCHEMBL22068095 0.78 MAP1LC3B (0.36) MAP1LC3BKLKB1FURINMEN1KMT2A

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-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed