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SCHEMBL21781964

SCHEMBL21781964

COC(=O)C1CCN(CCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(CN=[N+]=[N-])cc2)C(C)C)C(C(F)(F)F)C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 3/20 0.36
▸ FURIN P09958 3/20 0.35
▸ FAP Q12884 2/20 0.32
▸ HRH1 P35367 2/20 0.32
▸ KLKB1 P03952 3/20 0.32
▸ ITGB1 P05556 1/20 0.31
▸ ITGA5 P08648 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ NPY4R P50391 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
SCHEMBL22068094 0.98 FURIN (0.35) MAP1LC3BFURINFAPHRH1KLKB1
SCHEMBL21781963 0.91 HRH1 (0.35) MAP1LC3BFURINFAPHRH1KLKB1
SCHEMBL22068095 0.91 MAP1LC3B (0.36) MAP1LC3BFURINFAPHRH1KLKB1
SCHEMBL17987754 0.78 MAP1LC3B (0.37) MAP1LC3BFURINFAPHRH1KLKB1
SCHEMBL24296989 0.76 FURIN (0.43) MAP1LC3BFURINCTSLNPY4R
SCHEMBL21781748 0.75 KMT2A (0.31) FURINKLKB1ITGB1ITGA5
SCHEMBL22068550 0.74 MAP1LC3B (0.37) MAP1LC3BFURINFAPHRH1KLKB1
SCHEMBL22068547 0.74 MAP1LC3B (0.36) MAP1LC3BFURINFAPHRH1KLKB1
SCHEMBL21781967 0.74 ALDH1A1 (0.30) —
SCHEMBL24297209 0.74 FURIN (0.40) MAP1LC3BFURIN

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