SCHEMBL20028424

SCHEMBL20028424

NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccncn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.40
▸ CCR1 P32246 9/20 0.38
▸ MAPK14 Q16539 4/20 0.37
▸ HPGDS O60760 4/20 0.34
▸ SCD O00767 1/20 0.34
▸ SCD5 Q86SK9 1/20 0.34
▸ CAPN1 P07384 1/20 0.34

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
SCHEMBL20028429 0.89 PYGL (0.42) PYGLCCR1HPGDSCAPN1
SCHEMBL20028423 0.86 CDC7 (0.42) PYGLCCR1HPGDS
SCHEMBL21854344 0.84 CAPN1 (0.49) CAPN1
SCHEMBL22886609 0.83 PYGL (0.45) PYGLCCR1HPGDS
SCHEMBL22886536 0.82 CAPN1 (0.40) MAPK14CAPN1
SCHEMBL22886851 0.79 CAPN1 (0.38) CAPN1
SCHEMBL22895963 0.78 CAPN1 (0.42) CAPN1
SCHEMBL20028427 0.77 PYGL (0.41) PYGLCCR1HPGDS
SCHEMBL22896738 0.76 CAPN1 (0.43) CAPN1
SCHEMBL22886430 0.75 PYGL (0.41) PYGLCCR1HPGDS

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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