SCHEMBL21781878

SCHEMBL21781878

COC(=O)C1(C)CCN(C(=O)CCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(CBr)cc2)C(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 3/20 0.37
FURIN P09958 5/20 0.35
EHMT2 Q96KQ7 2/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
FAP Q12884 1/20 0.32
HRH1 P35367 2/20 0.32
KLKB1 P03952 1/20 0.32
KMT2A Q03164 1/20 0.32
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
NPY4R P50391 1/20 0.31
NPY5R Q15761 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
SCHEMBL21781876 0.94 MAP1LC3B (0.37) MAP1LC3BFURINEHMT2HTTSMN1; SMN2
SCHEMBL21781879 0.92 MAP1LC3B (0.37) MAP1LC3BFURINEHMT2HTTSMN1; SMN2
SCHEMBL29284547 0.84 NPC1 (0.41) MAP1LC3BHTTSMN1; SMN2KMT2A
SCHEMBL22068145 0.84 C3AR1 (0.36) FURINKMT2A
SCHEMBL17595585 0.78 FURIN (0.44) FURINHTTSMN1; SMN2KMT2A
SCHEMBL17595587 0.78 FURIN (0.44) FURINHTTSMN1; SMN2KMT2A
SCHEMBL29284586 0.78 NPC1 (0.41) MAP1LC3BHTTSMN1; SMN2KMT2A
SCHEMBL29284569 0.78 NPC1 (0.41) MAP1LC3BHTTSMN1; SMN2KMT2A
SCHEMBL29284585 0.78 MAP1LC3B (0.40) MAP1LC3BFURINHTTFAPHRH1
SCHEMBL20513041 0.77 HTT (0.44) FURINHTTKMT2ANPY1RNPY2R

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