SCHEMBL20028624

SCHEMBL20028624

Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(Br)n1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 20/20 0.56
▸ CTSS P25774 1/20 0.52

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
SCHEMBL30133607 1.00 CAPN1 (0.56) CAPN1CTSS
SCHEMBL23268990 0.86 CAPN1 (0.59) CAPN1CTSS
SCHEMBL20028632 0.86 CAPN1 (0.59) CAPN1CTSS
SCHEMBL20027563 0.85 CAPN1 (0.56) CAPN1CTSS
SCHEMBL20027471 0.84 CAPN1 (0.56) CAPN1CTSS
SCHEMBL20028622 0.83 CAPN1 (0.58) CAPN1CTSS
SCHEMBL20028455 0.83 CAPN1 (0.58) CAPN1CTSS
SCHEMBL21854023 0.82 CAPN1 (0.54) CAPN1CTSS
SCHEMBL21854058 0.82 CAPN1 (0.52) CAPN1CTSS
SCHEMBL21854045 0.82 CAPN1 (0.54) CAPN1CTSS

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
Send feedback