SCHEMBL20028429

SCHEMBL20028429

NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.42
▸ CCR1 P32246 5/20 0.39
▸ CAPN1 P07384 3/20 0.37
▸ HPGDS O60760 4/20 0.36
▸ CTSD P07339 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MME P08473 1/20 0.36

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
SCHEMBL20028424 0.89 PYGL (0.40) PYGLCCR1CAPN1HPGDS
SCHEMBL22886609 0.86 PYGL (0.45) PYGLCCR1HPGDSCTSD
SCHEMBL20028423 0.84 CDC7 (0.42) PYGLCCR1HPGDSCTSD
SCHEMBL21854095 0.83 CAPN1 (0.54) CAPN1
SCHEMBL22886508 0.81 CAPN1 (0.45) CAPN1KMT2A
SCHEMBL20028427 0.80 PYGL (0.41) PYGLCCR1HPGDS
SCHEMBL22886566 0.78 CAPN1 (0.43) CAPN1KMT2A
SCHEMBL22896974 0.78 CAPN1 (0.48) CAPN1
SCHEMBL22896540 0.78 CAPN1 (0.44) CAPN1
SCHEMBL22886430 0.77 PYGL (0.41) PYGLCCR1HPGDSKMT2A

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-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 — — WO disclosed
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