Sugi Predict

Sugi Predict / Compounds / SCHEMBL4590612

SCHEMBL4590612

SCHEMBL4590612

CC(=O)[C@H]1CC(C2CCNCC2)CCN1C[C@H](O)Cn1nc(-c2ccc(Cl)c(CCc3ccc(Cl)cc3)c2)c2c1CCN(S(C)(=O)=O)C2

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 20/20 0.61
▸ CD74 P04233 5/20 0.46

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
SCHEMBL4574042 0.89 CTSS (0.75) CTSSCD74
SCHEMBL4590609 0.83 CTSS (0.75) CTSSCD74
SCHEMBL5131289 0.83 CTSS (0.74) CTSSCD74
SCHEMBL8169690 0.80 CTSS (0.64) CTSSCD74
SCHEMBL5131735 0.79 CTSS (0.77) CTSSCD74
SCHEMBL4573761 0.79 CTSS (0.73) CTSS
SCHEMBL5125634 0.79 CTSS (0.58) CTSS
SCHEMBL4573535 0.77 CTSS (0.59) CTSSCD74
SCHEMBL4573672 0.76 CTSS (1.00) CTSS
SCHEMBL8175207 0.73 CTSS (0.80) CTSSCD74

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-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 — — WO claimed